N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propionamide Formula: C32H24F3N3O4 MolecularWeight: 571.54587

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)F)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC(=C(C=C3)F)F)C4=CC=C(C=C4)F)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H24F3N3O4/c1-38-26-5-3-2-4-22(26)29(20-9-13-27-28(16-20)42-17-41-27)36-30(32(38)40)37-31(39)23(19-7-10-21(33)11-8-19)14-18-6-12-24(34)25(35)15-18/h2-13,15-16,23,30H,14,17H2,1H3,(H,37,39)