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

Systemtic Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-fluorophenyl)-2-oxidanylidene-5-phenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-fluorophenyl)-2-oxo-5-phenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[(3-chloroanilino)-oxomethyl]amino]-7-(3-fluorophenyl)-2-oxo-5-phenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-fluorophenyl)-2-oxo-5-phenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[3-[(3-chlorophenyl)carbamoylamino]-7-(3-fluorophenyl)-2-keto-5-phenyl-azepan-1-yl]acetamide Formula: C31H34ClFN4O3 MolecularWeight: 565.078063

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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(=CC=C2)Cl)C3=CC=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C31H34ClFN4O3/c1-20(38)37(31(2,3)4)36-28(22-12-8-14-25(33)16-22)18-23(21-10-6-5-7-11-21)17-27(29(36)39)35-30(40)34-26-15-9-13-24(32)19-26/h5-16,19,23,27-28H,17-18H2,1-4H3,(H2,34,35,40)