aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide

C166H168Br6Cl4N28O19 — CID 158895971

About aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide

aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide (PubChem CID 158895971) has the molecular formula C166H168Br6Cl4N28O19 and a molecular weight of 3480.58 g/mol. Its IUPAC name is aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide.

Molecular Properties

• Compound Name: aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide
• PubChem CID: 158895971
• Molecular Formula: C166H168Br6Cl4N28O19
• Molecular Weight: 3480.58 g/mol
• Exact Mass: 3470.69
• IUPAC Name: aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide
• SMILES: C.C.C.C.C.C.C.C.CC(Cl)OC(=O)Cl.COc1ccc(CBr)cc1OC.COc1ccc(CN2CCc3c(n4nccc4n(-c4ccccc4)c3=O)C2)cc1OC.COc1ccc(C[n+]2ccc3c(=O)n(-c4ccccc4)c4ccnn4c3c2)cc1OC.Nc1ccccc1.O=C(Nc1ccccc1)c1ccncc1Br.O=C(O)c1ccc(Br)c(Cl)c1.O=C(O)c1ccncc1Br.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nccc3n(-c3ccccc3)c2=O)C1.O=c1c2c(n3nccc3n1-c1ccccc1)CNCC2.O=c1c2ccncc2n2nccc2n1-c1ccccc1.[Br-].c1cn[nH]c1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C24H24N4O3.C24H21N4O3.C22H16BrClN4O2.C15H14N4O.C15H10N4O.C12H9BrN2O.C12H8N2.C9H11BrO2.C7H4BrClO2.C6H4BrNO2.C6H7N.C3H4Cl2O2.C3H4N2.8CH4.BrH/c2*1-30-21-9-8-17(14-22(21)31-2)15-26-13-11-19-20(16-26)28-23(10-12-25-28)27(24(19)29)18-6-4-3-5-7-18;23-17-7-6-14(12-18(17)24)21(29)26-11-9-16-19(13-26)28-20(8-10-25-28)27(22(16)30)15-4-2-1-3-5-15;2*20-15-12-6-8-16-10-13(12)19-14(7-9-17-19)18(15)11-4-2-1-3-5-11;13-11-8-14-7-6-10(11)12(16)15-9-4-2-1-3-5-9;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-11-8-4-3-7(6-10)5-9(8)12-2;8-5-2-1-4(7(10)11)3-6(5)9;7-5-3-8-2-1-4(5)6(9)10;7-6-4-2-1-3-5-6;1-2(4)7-3(5)6;1-2-4-5-3-1;;;;;;;;;/h3-10,12,14H,11,13,15-16H2,1-2H3;3-14,16H,15H2,1-2H3;1-8,10,12H,9,11,13H2;1-5,7,9,16H,6,8,10H2;1-10H;1-8H,(H,15,16);1-8H;3-5H,6H2,1-2H3;1-3H,(H,10,11);1-3H,(H,9,10);1-5H,7H2;2H,1H3;1-3H,(H,4,5);8*1H4;1H/q;+1;;;;;;;;;;;;;;;;;;;;/p-1
• InChIKey: OQVGVPFJTZQSTL-UHFFFAOYSA-M
• XLogP: 31.85
• TPSA: 540.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 22
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3480.58
LogP ≤ 5	31.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide?

The IUPAC name of aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide (CID 158895971) is aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide.

What is the SMILES notation for aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide?

The canonical SMILES for aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide is C.C.C.C.C.C.C.C.CC(Cl)OC(=O)Cl.COc1ccc(CBr)cc1OC.COc1ccc(CN2CCc3c(n4nccc4n(-c4ccccc4)c3=O)C2)cc1OC.COc1ccc(C[n+]2ccc3c(=O)n(-c4ccccc4)c4ccnn4c3c2)cc1OC.Nc1ccccc1.O=C(Nc1ccccc1)c1ccncc1Br.O=C(O)c1ccc(Br)c(Cl)c1.O=C(O)c1ccncc1Br.O=C(c1ccc(Br)c(Cl)c1)N1CCc2c(n3nccc3n(-c3ccccc3)c2=O)C1.O=c1c2c(n3nccc3n1-c1ccccc1)CNCC2.O=c1c2ccncc2n2nccc2n1-c1ccccc1.[Br-].c1cn[nH]c1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide?

The InChIKey is OQVGVPFJTZQSTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24N4O3.C24H21N4O3.C22H16BrClN4O2.C15H14N4O.C15H10N4O.C12H9BrN2O.C12H8N2.C9H11BrO2.C7H4BrClO2.C6H4BrNO2.C6H7N.C3H4Cl2O2.C3H4N2.8CH4.BrH/c2*1-30-21-9-8-17(14-22(21)31-2)15-26-13-11-19-20(16-26)28-23(10-12-25-28)27(24(19)29)18-6-4-3-5-7-18;23-17-7-6-14(12-18(17)24)21(29)26-11-9-16-19(13-26)28-20(8-10-25-28)27(22(16)30)15-4-2-1-3-5-15;2*20-15-12-6-8-16-10-13(12)19-14(7-9-17-19)18(15)11-4-2-1-3-5-11;13-11-8-14-7-6-10(11)12(16)15-9-4-2-1-3-5-9;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-11-8-4-3-7(6-10)5-9(8)12-2;8-5-2-1-4(7(10)11)3-6(5)9;7-5-3-8-2-1-4(5)6(9)10;7-6-4-2-1-3-5-6;1-2(4)7-3(5)6;1-2-4-5-3-1;;;;;;;;;/h3-10,12,14H,11,13,15-16H2,1-2H3;3-14,16H,15H2,1-2H3;1-8,10,12H,9,11,13H2;1-5,7,9,16H,6,8,10H2;1-10H;1-8H,(H,15,16);1-8H;3-5H,6H2,1-2H3;1-3H,(H,10,11);1-3H,(H,9,10);1-5H,7H2;2H,1H3;1-3H,(H,4,5);8*1H4;1H/q;+1;;;;;;;;;;;;;;;;;;;;/p-1.

What are the key properties of aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide?

aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide has a molecular weight of 3480.58 g/mol, XLogP of 31.85, 22 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;4-bromo-3-chlorobenzoic acid;12-(4-bromo-3-chlorobenzoyl)-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;4-(bromomethyl)-1,2-dimethoxybenzene;3-bromo-N-phenylpyridine-4-carboxamide;3-bromopyridine-4-carboxylic acid;1-chloroethyl carbonochloridate;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;12-[(3,4-dimethoxyphenyl)methyl]-7-phenyl-2,3,7-triaza-12-azoniatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;methane;1,10-phenanthroline;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-one;7-phenyl-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one;1H-pyrazole;bromide is sourced from PubChem (CID 158895971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).