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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-2-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-2-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-2-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-2-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-2-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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