1-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxamide

Systemtic Name: 1-[2-[3,5-bis(fluoranyl)phenyl]ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxamide Openeye Name: 1-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopropanecarboxamide CAS Name: 1-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-cyclopropanecarboxamide IUPAC Name: 1-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxamide Traditional Name: 1-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)cyclopropanecarboxamide Formula: C28H24F2N4O3 MolecularWeight: 502.511966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CC3)NC(=O)CC4=CC(=CC(=C4)F)F)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CC3)NC(=O)CC4=CC(=CC(=C4)F)F)C5=CC=CC=C5

InChI

InChI=1S/C28H24F2N4O3/c1-34-22-10-6-5-9-21(22)24(18-7-3-2-4-8-18)31-25(26(34)36)32-27(37)28(11-12-28)33-23(35)15-17-13-19(29)16-20(30)14-17/h2-10,13-14,16,25H,11-12,15H2,1H3,(H,32,37)(H,33,35)