2-fluoranyl-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanone

Systemtic Name: 2-fluoranyl-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanone Openeye Name: 2-fluoro-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanone CAS Name: 2-fluoro-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenylethanone IUPAC Name: 2-fluoro-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenylethanone Traditional Name: 2-fluoro-1-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-phenyl-ethanone Formula: C27H25FN4O MolecularWeight: 440.512003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C(C3=CC=CC=C3)F)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C(C3=CC=CC=C3)F)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H25FN4O/c28-26(21-9-5-2-6-10-21)27(33)32-14-13-31(18-24-16-29-19-30-24)25-12-11-22(15-23(25)17-32)20-7-3-1-4-8-20/h1-12,15-16,19,26H,13-14,17-18H2,(H,29,30)