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

Systemtic Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-isobutyl-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Traditional Name: 2-butyl-3-isobutyl-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C31H43N3O4 MolecularWeight: 521.69082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C31H43N3O4/c1-4-5-16-26(29(32)35)27(19-22(2)3)30(36)33-28-17-9-10-18-34(31(28)37)21-23-12-11-15-25(20-23)38-24-13-7-6-8-14-24/h6-8,11-15,20,22,26-28H,4-5,9-10,16-19,21H2,1-3H3,(H2,32,35)(H,33,36)