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

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(2-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3-(2-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=N3)CC4=CN=CN4

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C=CC(=C2)Br)N(CC1CC3=CC=CC=N3)CC4=CN=CN4

InChI

InChI=1S/C20H22BrN5O2S/c1-29(27,28)26-11-15-8-16(21)5-6-20(15)25(12-18-10-22-14-24-18)13-19(26)9-17-4-2-3-7-23-17/h2-8,10,14,19H,9,11-13H2,1H3,(H,22,24)