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

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(phenylmethyl)-1-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C23H24BrN3O2S MolecularWeight: 486.42456

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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=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C23H24BrN3O2S/c1-30(28,29)27-16-20-13-21(24)9-10-23(20)26(15-19-8-5-11-25-14-19)17-22(27)12-18-6-3-2-4-7-18/h2-11,13-14,22H,12,15-17H2,1H3