About 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one
3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one (PubChem CID 162084088) has the molecular formula C284H264F3N45O14
and a molecular weight of 4588.53 g/mol. Its IUPAC name is 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one.
Frequently Asked Questions
What is the IUPAC name of 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one?
The IUPAC name of 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one (CID 162084088) is 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one.
What is the SMILES notation for 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one?
The canonical SMILES for 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one is CCn1ccnc1C1C2=NCC(=O)c3cccc(c32)NC1c1ccccc1.CN(C)Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2ccc(CN(C)C)cc2)cc1.CN(C)Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2ccc(F)cc2)cc1.CN(C)Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2ccccc2)cc1.CN(C)Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2nccn2C)cc1.CN1CCN(Cc2ccc(C3Nc4cccc5c4C(=NCC5=O)C3c3ccccc3)cc2)CC1.Cc1ccc(C2Nc3cc(F)cc4c3C(=NCC4=O)C2c2nccn2C)cc1.Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2nccn2C)cc1.Cc1ccc(C2Nc3cccc4c3C(=NCC4=O)C2c2nnc(C)o2)cc1.Cn1ccnc1C1C2=NCC(=O)c3cc(F)cc(c32)NC1c1ccccc1.Cn1ccnc1C1C2=NCC(=O)c3cccc(c32)NC1c1ccccc1.O=C1CN=C2c3c(cccc31)NC(c1ccccc1)C2c1ccoc1.
What is the InChIKey of 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one?
The InChIKey is ZCSOREFFGLAQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O.C29H32N4O.C26H24FN3O.C26H25N3O.C24H25N5O.C22H19FN4O.2C22H20N4O.C21H17FN4O.C21H18N4O2.C21H18N4O.C21H16N2O2/c1-32-14-16-33(17-15-32)19-20-10-12-22(13-11-20)28-26(21-6-3-2-4-7-21)29-27-23(25(34)18-30-29)8-5-9-24(27)31-28;1-32(2)17-19-8-12-21(13-9-19)26-28(22-14-10-20(11-15-22)18-33(3)4)31-24-7-5-6-23-25(34)16-30-29(26)27(23)24;1-30(2)15-16-6-8-18(9-7-16)25-23(17-10-12-19(27)13-11-17)26-24-20(22(31)14-28-26)4-3-5-21(24)29-25;1-29(2)16-17-11-13-19(14-12-17)25-23(18-7-4-3-5-8-18)26-24-20(22(30)15-27-26)9-6-10-21(24)28-25;1-28(2)14-15-7-9-16(10-8-15)22-21(24-25-11-12-29(24)3)23-20-17(19(30)13-26-23)5-4-6-18(20)27-22;1-12-3-5-13(6-4-12)20-19(22-24-7-8-27(22)2)21-18-15(17(28)11-25-21)9-14(23)10-16(18)26-20;1-13-6-8-14(9-7-13)20-19(22-23-10-11-26(22)2)21-18-15(17(27)12-24-21)4-3-5-16(18)25-20;1-2-26-12-11-23-22(26)19-20(14-7-4-3-5-8-14)25-16-10-6-9-15-17(27)13-24-21(19)18(15)16;1-26-8-7-23-21(26)18-19(12-5-3-2-4-6-12)25-15-10-13(22)9-14-16(27)11-24-20(18)17(14)15;1-11-6-8-13(9-7-11)19-18(21-25-24-12(2)27-21)20-17-14(16(26)10-22-20)4-3-5-15(17)23-19;1-25-11-10-22-21(25)18-19(13-6-3-2-4-7-13)24-15-9-5-8-14-16(26)12-23-20(18)17(14)15;24-17-11-22-21-18(14-9-10-25-12-14)20(13-5-2-1-3-6-13)23-16-8-4-7-15(17)19(16)21/h2-13,26,28,31H,14-19H2,1H3;5-15,26,28,31H,16-18H2,1-4H3;3-13,23,25,29H,14-15H2,1-2H3;3-14,23,25,28H,15-16H2,1-2H3;4-12,21-22,27H,13-14H2,1-3H3;3-10,19-20,26H,11H2,1-2H3;3-11,19-20,25H,12H2,1-2H3;3-12,19-20,25H,2,13H2,1H3;2-10,18-19,25H,11H2,1H3;3-9,18-19,23H,10H2,1-2H3;2-11,18-19,24H,12H2,1H3;1-10,12,18,20,23H,11H2.
What are the key properties of 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one?
3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one has a molecular weight of 4588.53 g/mol, XLogP of 48.04, 37 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[4-[(dimethylamino)methyl]phenyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(4-fluorophenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-(1-methylimidazol-2-yl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(dimethylamino)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-ethylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;11-fluoro-4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(furan-3-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(1-methylimidazol-2-yl)-3-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one;3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-phenyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),5,9(13),10-tetraen-8-one is sourced from PubChem (CID 162084088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).