3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenylphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[(3-phenylphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-[2-oxo-1-[(3-phenylphenyl)methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenylphenyl)methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[(3-phenylphenyl)methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-[2-keto-1-(3-phenylbenzyl)azepan-3-yl]-2-propyl-succinamide Formula: C30H41N3O3 MolecularWeight: 491.66484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2=CC=CC(=C2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C30H41N3O3/c1-4-11-25(28(31)34)26(18-21(2)3)29(35)32-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27H,4,8-9,11,16-18,20H2,1-3H3,(H2,31,34)(H,32,35)