N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

C128H163F3N12O12S — CID 159995701

IUPACN-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCCn1nc(C(F)(F)F)c(NC(=O)c2cc3c(cc2OC)CCCCC3)c1C.CCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C.COc1cc2c(cc1C(=O)NCc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ncc(C(C)(C)C)s1)CCCCC2
InChIInChI=1S/C24H31NO2.C23H29NO2.C22H28N2O2.C20H24F3N3O2.C20H26N2O2S.C19H25N3O2/c1-24(2,3)20-12-10-17(11-13-20)16-25-23(26)21-14-18-8-6-5-7-9-19(18)15-22(21)27-4;1-23(2,3)18-10-12-19(13-11-18)24-22(25)20-14-16-8-6-5-7-9-17(16)15-21(20)26-4;1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4;1-4-26-12(2)17(18(25-26)20(21,22)23)24-19(27)15-10-13-8-6-5-7-9-14(13)11-16(15)28-3;1-20(2,3)17-12-21-19(25-17)22-18(23)15-10-13-8-6-5-7-9-14(13)11-16(15)24-4;1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-15H,5-9,16H2,1-4H3,(H,25,26);10-15H,5-9H2,1-4H3,(H,24,25);10-14H,5-9H2,1-4H3,(H,23,24,25);10-11H,4-9H2,1-3H3,(H,24,27);10-12H,5-9H2,1-4H3,(H,21,22,23);10-12H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyOHNBIMFUNNSJEL-UHFFFAOYSA-N
MW2150.84 g/mol
LogP29.09
Rot. Bonds21

About N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 159995701) has the molecular formula C128H163F3N12O12S and a molecular weight of 2150.84 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
PubChem CID159995701
Molecular FormulaC128H163F3N12O12S
Molecular Weight2150.84 g/mol
Exact Mass2149.22
IUPAC NameN-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCCn1nc(C(F)(F)F)c(NC(=O)c2cc3c(cc2OC)CCCCC3)c1C.CCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C.COc1cc2c(cc1C(=O)NCc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ncc(C(C)(C)C)s1)CCCCC2
InChIInChI=1S/C24H31NO2.C23H29NO2.C22H28N2O2.C20H24F3N3O2.C20H26N2O2S.C19H25N3O2/c1-24(2,3)20-12-10-17(11-13-20)16-25-23(26)21-14-18-8-6-5-7-9-19(18)15-22(21)27-4;1-23(2,3)18-10-12-19(13-11-18)24-22(25)20-14-16-8-6-5-7-9-17(16)15-21(20)26-4;1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4;1-4-26-12(2)17(18(25-26)20(21,22)23)24-19(27)15-10-13-8-6-5-7-9-14(13)11-16(15)28-3;1-20(2,3)17-12-21-19(25-17)22-18(23)15-10-13-8-6-5-7-9-14(13)11-16(15)24-4;1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-15H,5-9,16H2,1-4H3,(H,25,26);10-15H,5-9H2,1-4H3,(H,24,25);10-14H,5-9H2,1-4H3,(H,23,24,25);10-11H,4-9H2,1-3H3,(H,24,27);10-12H,5-9H2,1-4H3,(H,21,22,23);10-12H,4-9H2,1-3H3,(H,20,21,23)
InChIKeyOHNBIMFUNNSJEL-UHFFFAOYSA-N
XLogP29.09
TPSA291.40 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.84
LogP ≤ 529.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethoxy)benzamide;N-(2-methyl-5-phenyl-1,3-thiazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118392854
3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157074548
N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(2-tert-butyl-1,3-thiazol-5-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butylthiophen-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 159688212
N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 161521794
3-(2-methyl-1,5-dihydropyrazol-5-yl)-N-[2-methyl-5-[3-[[3-[5-[[3-(6-oxo-2,3-dihydro-1H-pyridazin-3-yl)-1-phenylpyrazol-5-yl]carbamoyl]-2-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]phenyl]-1,3-thiazol-4-yl]-4-(trifluoromethyl)benzamide
CID 162596333
N-(4-tert-butylphenyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 158404925
N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 159765678
N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;3-methoxy-N-[4-(2H-pyrrol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 160393845
N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 161599025
N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butylpyrimidin-2-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
CID 162203175

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 159995701) is N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is CCn1nc(C(F)(F)F)c(NC(=O)c2cc3c(cc2OC)CCCCC3)c1C.CCn1nc(NC(=O)c2cc3c(cc2OC)CCCCC3)cc1C.COc1cc2c(cc1C(=O)NCc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2.COc1cc2c(cc1C(=O)Nc1ncc(C(C)(C)C)s1)CCCCC2.
What is the InChIKey of N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The InChIKey is OHNBIMFUNNSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2.C23H29NO2.C22H28N2O2.C20H24F3N3O2.C20H26N2O2S.C19H25N3O2/c1-24(2,3)20-12-10-17(11-13-20)16-25-23(26)21-14-18-8-6-5-7-9-19(18)15-22(21)27-4;1-23(2,3)18-10-12-19(13-11-18)24-22(25)20-14-16-8-6-5-7-9-17(16)15-21(20)26-4;1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4;1-4-26-12(2)17(18(25-26)20(21,22)23)24-19(27)15-10-13-8-6-5-7-9-14(13)11-16(15)28-3;1-20(2,3)17-12-21-19(25-17)22-18(23)15-10-13-8-6-5-7-9-14(13)11-16(15)24-4;1-4-22-13(2)10-18(21-22)20-19(23)16-11-14-8-6-5-7-9-15(14)12-17(16)24-3/h10-15H,5-9,16H2,1-4H3,(H,25,26);10-15H,5-9H2,1-4H3,(H,24,25);10-14H,5-9H2,1-4H3,(H,23,24,25);10-11H,4-9H2,1-3H3,(H,24,27);10-12H,5-9H2,1-4H3,(H,21,22,23);10-12H,4-9H2,1-3H3,(H,20,21,23).
What are the key properties of N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide has a molecular weight of 2150.84 g/mol, XLogP of 29.09, 21 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;N-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 159995701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).