N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-oxidanyl-propanamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-oxidanyl-propanamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-hydroxy-propanamide CAS Name: N-[1-(2-amino-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-hydroxypropanamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-hydroxypropanamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-3-hydroxy-propionamide Formula: C32H25Cl2FN4O4 MolecularWeight: 619.469703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N)NC(=O)C(C4=CC=C(C=C4)F)C(C5=CC(=C(C=C5)Cl)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)N)NC(=O)C(C4=CC=C(C=C4)F)C(C5=CC(=C(C=C5)Cl)Cl)O

InChI

InChI=1S/C32H25Cl2FN4O4/c33-23-15-12-20(16-24(23)34)29(41)27(18-10-13-21(35)14-11-18)31(42)38-30-32(43)39(17-26(36)40)25-9-5-4-8-22(25)28(37-30)19-6-2-1-3-7-19/h1-16,27,29-30,41H,17H2,(H2,36,40)(H,38,42)