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

Systemtic Name: 3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]butanediamide CAS Name: 3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-3-azepanyl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclobutylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclobutylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)azepan-3-yl]succinamide Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C31H39N3O4/c1-2-10-26(29(32)35)27(20-22-11-8-12-22)30(36)33-28-17-6-7-18-34(31(28)37)21-23-13-9-16-25(19-23)38-24-14-4-3-5-15-24/h2-5,9,13-16,19,22,26-28H,1,6-8,10-12,17-18,20-21H2,(H2,32,35)(H,33,36)