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

Systemtic Name: N-butyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: N-butyl-3-isobutyl-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: N-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxy-1-cyclohexa-2,4-dienyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: N-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: N-butyl-3-isobutyl-N'-[2-keto-1-[(3-phenoxycyclohexa-2,4-dien-1-yl)methyl]azepan-3-yl]-2-propyl-succinamide Formula: C34H51N3O4 MolecularWeight: 565.78644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CCC)C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C(CCC)C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C34H51N3O4/c1-5-7-20-35-32(38)29(14-6-2)30(22-25(3)4)33(39)36-31-19-11-12-21-37(34(31)40)24-26-15-13-18-28(23-26)41-27-16-9-8-10-17-27/h8-10,13,16-18,23,25-26,29-31H,5-7,11-12,14-15,19-22,24H2,1-4H3,(H,35,38)(H,36,39)