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

Systemtic Name: 3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-azepan-3-yl]butanediamide CAS Name: 3-(2-methylpropyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxoazepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-[2-keto-1-[3-(2-naphthyl)benzyl]azepan-3-yl]succinamide Formula: C34H41N3O3 MolecularWeight: 539.70764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41N3O3/c1-4-10-29(32(35)38)30(19-23(2)3)33(39)36-31-15-7-8-18-37(34(31)40)22-24-11-9-14-26(20-24)28-17-16-25-12-5-6-13-27(25)21-28/h4-6,9,11-14,16-17,20-21,23,29-31H,1,7-8,10,15,18-19,22H2,2-3H3,(H2,35,38)(H,36,39)