7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C20H22BrN5O2S MolecularWeight: 476.38998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CN=CC=C3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CN=CC=C3)CC4=CN=CN4

InChI

InChI=1S/C20H22BrN5O2S/c1-29(27,28)26-11-16-8-17(21)4-5-20(16)25(12-18-10-23-14-24-18)13-19(26)7-15-3-2-6-22-9-15/h2-6,8-10,14,19H,7,11-13H2,1H3,(H,23,24)