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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-4-(phenylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 4-(benzenesulfonyl)-3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 4-(benzenesulfonyl)-7-bromo-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 4-(benzenesulfonyl)-3-benzyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-4-besyl-7-bromo-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C26H25BrN4O2S MolecularWeight: 537.4713

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=C(N1CC3=CN=CN3)C=CC(=C2)Br)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25BrN4O2S/c27-22-11-12-26-21(14-22)16-31(34(32,33)25-9-5-2-6-10-25)24(13-20-7-3-1-4-8-20)18-30(26)17-23-15-28-19-29-23/h1-12,14-15,19,24H,13,16-18H2,(H,28,29)