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

Systemtic Name: N-methyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N-methyl-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: N-methyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 2-isobutyl-N-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-N'-methyl-3-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)OC3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3)C(=O)NC

InChI

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