4-[[5-[2-[7-bromanyl-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-[7-bromanyl-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-[7-bromo-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-[7-bromo-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-[7-bromo-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-[7-bromo-2-(2-methoxyphenyl)-4,10-dihydroimidazo[2,1-c][1,4]benzodiazepin-5-yl]-2-keto-ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C31H25BrN6O2 MolecularWeight: 593.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CN3CC4=C(C=C(C=C4)Br)N(CC3=N2)C(=O)CC5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CN3CC4=C(C=C(C=C4)Br)N(CC3=N2)C(=O)CC5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H25BrN6O2/c1-40-29-5-3-2-4-26(29)27-18-36-17-23-10-11-24(32)12-28(23)38(19-30(36)35-27)31(39)13-25-15-34-20-37(25)16-22-8-6-21(14-33)7-9-22/h2-12,15,18,20H,13,16-17,19H2,1H3