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

Systemtic Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[3-(phenylcarbonyl)phenyl]azepan-3-yl]butanediamide Openeye Name: N'-[1-(3-benzoylphenyl)-2-oxo-azepan-3-yl]-2-butyl-3-(cyclopropylmethyl)butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-3-azepanyl]-2-butyl-3-(cyclopropylmethyl)butanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxoazepan-3-yl]-2-butyl-3-(cyclopropylmethyl)butanediamide Traditional Name: N'-[1-(3-benzoylphenyl)-2-keto-azepan-3-yl]-2-butyl-3-(cyclopropylmethyl)succinamide Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39N3O4/c1-2-3-14-25(29(32)36)26(19-21-16-17-21)30(37)33-27-15-7-8-18-34(31(27)38)24-13-9-12-23(20-24)28(35)22-10-5-4-6-11-22/h4-6,9-13,20-21,25-27H,2-3,7-8,14-19H2,1H3,(H2,32,36)(H,33,37)