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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine hydrochloride Formula: C21H24BrClN4O2S MolecularWeight: 511.86286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S.ClH/c1-29(27,28)26-12-17-10-18(22)7-8-21(17)25(13-19-11-23-15-24-19)14-20(26)9-16-5-3-2-4-6-16;/h2-8,10-11,15,20H,9,12-14H2,1H3,(H,23,24);1H