7-bromanyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-[(3-methyl-4-imidazolyl)methyl]-4-methylsulfonyl-3-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-[(3-methylimidazol-4-yl)methyl]-4-methylsulfonyl-3-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-4-mesyl-1-[(3-methylimidazol-4-yl)methyl]-3-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CN=CC=C4

Isomeric SMILES

CN1C=NC=C1CN2CC(N(CC3=C2C=CC(=C3)Br)S(=O)(=O)C)CC4=CN=CC=C4

InChI

InChI=1S/C21H24BrN5O2S/c1-25-15-24-11-20(25)14-26-13-19(8-16-4-3-7-23-10-16)27(30(2,28)29)12-17-9-18(22)5-6-21(17)26/h3-7,9-11,15,19H,8,12-14H2,1-2H3