2-butyl-N'-[1-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-2-oxidanylidene-azepan-3-yl]-3-(cyclopentylmethyl)butanediamide

Systemtic Name: 2-butyl-N'-[1-[[3-(3-chloranyl-4-fluoranyl-phenyl)phenyl]methyl]-2-oxidanylidene-azepan-3-yl]-3-(cyclopentylmethyl)butanediamide Openeye Name: 2-butyl-N'-[1-[[3-(3-chloro-4-fluoro-phenyl)phenyl]methyl]-2-oxo-azepan-3-yl]-3-(cyclopentylmethyl)butanediamide CAS Name: 2-butyl-N'-[1-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-oxo-3-azepanyl]-3-(cyclopentylmethyl)butanediamide IUPAC Name: 2-butyl-N'-[1-[[3-(3-chloro-4-fluorophenyl)phenyl]methyl]-2-oxoazepan-3-yl]-3-(cyclopentylmethyl)butanediamide Traditional Name: 2-butyl-N'-[1-[3-(3-chloro-4-fluoro-phenyl)benzyl]-2-keto-azepan-3-yl]-3-(cyclopentylmethyl)succinamide Formula: C33H43ClFN3O3 MolecularWeight: 584.164223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43ClFN3O3/c1-2-3-13-26(31(36)39)27(19-22-9-4-5-10-22)32(40)37-30-14-6-7-17-38(33(30)41)21-23-11-8-12-24(18-23)25-15-16-29(35)28(34)20-25/h8,11-12,15-16,18,20,22,26-27,30H,2-7,9-10,13-14,17,19,21H2,1H3,(H2,36,39)(H,37,40)