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

Systemtic Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-methylphenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(m-tolyl)-2-oxo-5-phenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-chloroanilino)-oxomethyl]amino]-7-(3-methylphenyl)-2-oxo-5-phenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-methylphenyl)-2-oxo-5-phenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-2-keto-7-(m-tolyl)-5-phenyl-azepan-1-yl]acetamide Formula: C32H37ClN4O3 MolecularWeight: 561.11418

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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)Cl)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)Cl)C4=CC=CC=C4

InChI

InChI=1S/C32H37ClN4O3/c1-21-11-9-14-24(17-21)29-19-25(23-12-7-6-8-13-23)18-28(30(39)36(29)37(22(2)38)32(3,4)5)35-31(40)34-27-16-10-15-26(33)20-27/h6-17,20,25,28-29H,18-19H2,1-5H3,(H2,34,35,40)