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

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(phenylmethyl)-7-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-mesyl-7-(3-pyridyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CN=CC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)C3=CN=CC=C3)N(CC1CC4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C26H27N5O2S/c1-34(32,33)31-16-23-13-21(22-8-5-11-27-14-22)9-10-26(23)30(17-24-15-28-19-29-24)18-25(31)12-20-6-3-2-4-7-20/h2-11,13-15,19,25H,12,16-18H2,1H3,(H,28,29)