3-(cyclopropylmethyl)-N'-[1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxidanylidene-azepan-3-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxidanylidene-azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopropylmethyl)-N'-[1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxo-azepan-3-yl]butanediamide CAS Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxo-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopropylmethyl)-N'-[1-[[3-(4-methoxyphenyl)phenyl]methyl]-2-oxoazepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopropylmethyl)-N'-[2-keto-1-[3-(4-methoxyphenyl)benzyl]azepan-3-yl]succinamide Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC=C2)CN3CCCCC(C3=O)NC(=O)C(CC4CC4)C(CC=C)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC=C2)CN3CCCCC(C3=O)NC(=O)C(CC4CC4)C(CC=C)C(=O)N

InChI

InChI=1S/C31H39N3O4/c1-3-7-26(29(32)35)27(19-21-11-12-21)30(36)33-28-10-4-5-17-34(31(28)37)20-22-8-6-9-24(18-22)23-13-15-25(38-2)16-14-23/h3,6,8-9,13-16,18,21,26-28H,1,4-5,7,10-12,17,19-20H2,2H3,(H2,32,35)(H,33,36)