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

Systemtic Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C31H41N3O4/c1-2-3-14-26(29(32)35)27(20-22-16-17-22)30(36)33-28-15-7-8-18-34(31(28)37)21-23-10-9-13-25(19-23)38-24-11-5-4-6-12-24/h4-6,9-13,19,22,26-28H,2-3,7-8,14-18,20-21H2,1H3,(H2,32,35)(H,33,36)