3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[3-(phenylcarbonyl)phenyl]azepan-3-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[3-(phenylcarbonyl)phenyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-oxo-azepan-3-yl]-3-(cyclobutylmethyl)butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-3-azepanyl]-3-(cyclobutylmethyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxoazepan-3-yl]-3-(cyclobutylmethyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-keto-azepan-3-yl]-3-(cyclobutylmethyl)succinamide Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)C3=CC=CC(=C3)C(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C31H37N3O4/c1-2-10-25(29(32)36)26(19-21-11-8-12-21)30(37)33-27-17-6-7-18-34(31(27)38)24-16-9-15-23(20-24)28(35)22-13-4-3-5-14-22/h2-5,9,13-16,20-21,25-27H,1,6-8,10-12,17-19H2,(H2,32,36)(H,33,37)