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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-4-yl)sulfonyl-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-4-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-[(1-methyl-4-imidazolyl)sulfonyl]-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-4-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-4-(1-methylimidazol-4-yl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C24H25BrN6O2S MolecularWeight: 541.4633

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)Br)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CC3=C(C=CC(=C3)Br)N(CC2CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C24H25BrN6O2S/c1-29-15-24(28-17-29)34(32,33)31-12-19-10-20(25)7-8-23(19)30(13-21-11-26-16-27-21)14-22(31)9-18-5-3-2-4-6-18/h2-8,10-11,15-17,22H,9,12-14H2,1H3,(H,26,27)