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

Systemtic Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclopentylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C33H45N3O4 MolecularWeight: 547.7281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C33H45N3O4/c1-2-3-18-28(31(34)37)29(22-24-12-7-8-13-24)32(38)35-30-19-9-10-20-36(33(30)39)23-25-14-11-17-27(21-25)40-26-15-5-4-6-16-26/h4-6,11,14-17,21,24,28-30H,2-3,7-10,12-13,18-20,22-23H2,1H3,(H2,34,37)(H,35,38)