N-tert-butyl-N-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[(4-methylphenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[2-oxo-5,7-diphenyl-3-(p-tolylcarbamoylamino)azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(4-methylanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(4-methylphenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-5,7-diphenyl-3-(p-tolylcarbamoylamino)azepan-1-yl]acetamide Formula: C32H38N4O3 MolecularWeight: 526.66912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H38N4O3/c1-22-16-18-27(19-17-22)33-31(39)34-28-20-26(24-12-8-6-9-13-24)21-29(25-14-10-7-11-15-25)35(30(28)38)36(23(2)37)32(3,4)5/h6-19,26,28-29H,20-21H2,1-5H3,(H2,33,34,39)