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

Systemtic Name: 3-(cyclopropylmethyl)-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-(cyclopropylmethyl)butanediamide CAS Name: N'-[1-(3-benzoylphenyl)-2-oxo-3-azepanyl]-3-(cyclopropylmethyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(3-benzoylphenyl)-2-oxoazepan-3-yl]-3-(cyclopropylmethyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(3-benzoylphenyl)-2-keto-azepan-3-yl]-3-(cyclopropylmethyl)succinamide Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O4/c1-2-9-24(28(31)35)25(18-20-15-16-20)29(36)32-26-14-6-7-17-33(30(26)37)23-13-8-12-22(19-23)27(34)21-10-4-3-5-11-21/h2-5,8,10-13,19-20,24-26H,1,6-7,9,14-18H2,(H2,31,35)(H,32,36)