N-tert-butyl-N-[3-[(3-methoxyphenyl)carbamoylamino]-7-(3-methylphenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[(3-methoxyphenyl)carbamoylamino]-7-(3-methylphenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-methoxyphenyl)carbamoylamino]-7-(m-tolyl)-2-oxo-5-phenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-methoxyanilino)-oxomethyl]amino]-7-(3-methylphenyl)-2-oxo-5-phenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-methoxyphenyl)carbamoylamino]-7-(3-methylphenyl)-2-oxo-5-phenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-3-[(3-methoxyphenyl)carbamoylamino]-7-(m-tolyl)-5-phenyl-azepan-1-yl]acetamide Formula: C33H40N4O4 MolecularWeight: 556.6951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CC(CC(C(=O)N2N(C(=O)C)C(C)(C)C)NC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2CC(CC(C(=O)N2N(C(=O)C)C(C)(C)C)NC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C33H40N4O4/c1-22-12-10-15-25(18-22)30-20-26(24-13-8-7-9-14-24)19-29(31(39)36(30)37(23(2)38)33(3,4)5)35-32(40)34-27-16-11-17-28(21-27)41-6/h7-18,21,26,29-30H,19-20H2,1-6H3,(H2,34,35,40)