7-bromanyl-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-3-[(3-chlorophenyl)methyl]-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-3-(3-chlorobenzyl)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H22BrClN4O2S MolecularWeight: 509.84698

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)Cl)CC4=CN=CN4

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrClN4O2S/c1-30(28,29)27-11-16-9-17(22)5-6-21(16)26(12-19-10-24-14-25-19)13-20(27)8-15-3-2-4-18(23)7-15/h2-7,9-10,14,20H,8,11-13H2,1H3,(H,24,25)