7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 7-bromanyl-1-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 7-bromo-3-(tert-butoxymethyl)-1-(1H-imidazol-5-ylmethyl)-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 7-bromo-1-(1H-imidazol-5-ylmethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 7-bromo-3-(tert-butoxymethyl)-1-(1H-imidazol-5-ylmethyl)-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepine Formula: C19H27BrN4O3S MolecularWeight: 471.41168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)CC3=CN=CN3

Isomeric SMILES

CC(C)(C)OCC1CN(C2=C(CN1S(=O)(=O)C)C=C(C=C2)Br)CC3=CN=CN3

InChI

InChI=1S/C19H27BrN4O3S/c1-19(2,3)27-12-17-11-23(10-16-8-21-13-22-16)18-6-5-15(20)7-14(18)9-24(17)28(4,25)26/h5-8,13,17H,9-12H2,1-4H3,(H,21,22)