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

Systemtic Name: N'-[1-[[3-(4-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-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methyl]-2-oxo-azepan-3-yl]-2-propyl-butanediamide CAS Name: N'-[1-[[3-(4-methoxyphenyl)-1-cyclohexa-2,4-dienyl]methyl]-2-oxo-3-azepanyl]-3-(2-methylpropyl)-2-propylbutanediamide IUPAC Name: N'-[1-[[3-(4-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-(4-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=C(C=C3)OC)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3O4/c1-5-9-26(29(32)35)27(18-21(2)3)30(36)33-28-12-6-7-17-34(31(28)37)20-22-10-8-11-24(19-22)23-13-15-25(38-4)16-14-23/h8,11,13-16,19,21-22,26-28H,5-7,9-10,12,17-18,20H2,1-4H3,(H2,32,35)(H,33,36)