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

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-N-[2-keto-1-[2-keto-2-(methylamino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C33H27F3N4O3 MolecularWeight: 584.58769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H27F3N4O3/c1-37-29(41)19-40-28-10-6-5-9-24(28)30(22-7-3-2-4-8-22)38-31(33(40)43)39-32(42)25(21-12-14-23(34)15-13-21)17-20-11-16-26(35)27(36)18-20/h2-16,18,25,31H,17,19H2,1H3,(H,37,41)(H,39,42)