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

Systemtic Name: N-tert-butyl-N-[7-(3-methylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[7-(m-tolyl)-3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-methylanilino)-oxomethyl]amino]-7-(3-methylphenyl)-2-oxo-5-phenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[7-(3-methylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-7-(m-tolyl)-3-(m-tolylcarbamoylamino)-5-phenyl-azepan-1-yl]acetamide Formula: C33H40N4O3 MolecularWeight: 540.6957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N4O3/c1-22-12-10-16-26(18-22)30-21-27(25-14-8-7-9-15-25)20-29(31(39)36(30)37(24(3)38)33(4,5)6)35-32(40)34-28-17-11-13-23(2)19-28/h7-19,27,29-30H,20-21H2,1-6H3,(H2,34,35,40)