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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

InChI

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