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

Systemtic Name: N-tert-butyl-N-[3-[(4-chlorophenyl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(4-chloroanilino)-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[(4-chlorophenyl)carbamoylamino]-2-keto-5,7-diphenyl-azepan-1-yl]acetamide Formula: C31H35ClN4O3 MolecularWeight: 547.0876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N(C(C)(C)C)N1C(CC(CC(C1=O)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35ClN4O3/c1-21(37)36(31(2,3)4)35-28(23-13-9-6-10-14-23)20-24(22-11-7-5-8-12-22)19-27(29(35)38)34-30(39)33-26-17-15-25(32)16-18-26/h5-18,24,27-28H,19-20H2,1-4H3,(H2,33,34,39)