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

Systemtic Name: 7-bromanyl-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(4-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-4-methylsulfonyl-3-(phenylmethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 3-benzyl-7-bromo-4-methylsulfonyl-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 3-benzyl-7-bromo-4-mesyl-1-(4-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=NC=C4

Isomeric SMILES

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

InChI

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