N'-[1-[[3-(2-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-propyl-butanediamide

Systemtic Name: N'-[1-[[3-(2-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]-2-oxidanylidene-azepan-3-yl]-3-(2-methylpropyl)-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-[1-[[3-(2-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]-2-oxo-azepan-3-yl]-2-propyl-butanediamide CAS Name: N'-[1-[[3-(2-methoxyphenyl)-1-cyclohexa-2,4-dienyl]methyl]-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-propylbutanediamide IUPAC Name: N'-[1-[[3-(2-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]-2-oxoazepan-3-yl]-3-(2-methylpropyl)-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-[2-keto-1-[[3-(2-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propyl-succinamide Formula: C31H45N3O4 MolecularWeight: 523.7067

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)C3=CC=CC=C3OC)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)C3=CC=CC=C3OC)C(=O)N

InChI

InChI=1S/C31H45N3O4/c1-5-11-25(29(32)35)26(18-21(2)3)30(36)33-27-15-8-9-17-34(31(27)37)20-22-12-10-13-23(19-22)24-14-6-7-16-28(24)38-4/h6-7,10,13-14,16,19,21-22,25-27H,5,8-9,11-12,15,17-18,20H2,1-4H3,(H2,32,35)(H,33,36)