4-[[5-[2-[9-fluoranyl-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-oxidanylidene-ethyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[2-[9-fluoranyl-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-oxidanylidene-ethyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[2-[9-fluoro-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-oxo-ethyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[2-[9-fluoro-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-oxoethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[2-[9-fluoro-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[2-[9-fluoro-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-keto-ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C31H25FN6O2 MolecularWeight: 532.567603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CN3CC4=C(C=CC=C4F)N(CC3=N2)C(=O)CC5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CN3CC4=C(C=CC=C4F)N(CC3=N2)C(=O)CC5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H25FN6O2/c1-40-29-8-3-2-5-24(29)27-18-36-17-25-26(32)6-4-7-28(25)38(19-30(36)35-27)31(39)13-23-15-34-20-37(23)16-22-11-9-21(14-33)10-12-22/h2-12,15,18,20H,13,16-17,19H2,1H3