2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxoazepan-3-yl]butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-[2-keto-1-[3-(2-naphthyl)benzyl]azepan-3-yl]succinamide Formula: C35H45N3O3 MolecularWeight: 555.7501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC=CC(=C2)C3=CC4=CC=CC=C4C=C3)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC=CC(=C2)C3=CC4=CC=CC=C4C=C3)C(=O)N

InChI

InChI=1S/C35H45N3O3/c1-4-5-15-30(33(36)39)31(20-24(2)3)34(40)37-32-16-8-9-19-38(35(32)41)23-25-11-10-14-27(21-25)29-18-17-26-12-6-7-13-28(26)22-29/h6-7,10-14,17-18,21-22,24,30-32H,4-5,8-9,15-16,19-20,23H2,1-3H3,(H2,36,39)(H,37,40)