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

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(phenylmethyl)-1-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1-(2-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=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=C3)CC4=CC=CC=N4

InChI

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