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

Systemtic Name: 3-(cyclopropylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopropylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopropylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C30H37N3O4 MolecularWeight: 503.63248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C30H37N3O4/c1-2-9-25(28(31)34)26(19-21-15-16-21)29(35)32-27-14-6-7-17-33(30(27)36)20-22-10-8-13-24(18-22)37-23-11-4-3-5-12-23/h2-5,8,10-13,18,21,25-27H,1,6-7,9,14-17,19-20H2,(H2,31,34)(H,32,35)