5-[4-(3-bromophenyl)pyridin-3-yl]-7-fluoranyl-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 5-[4-(3-bromophenyl)pyridin-3-yl]-7-fluoranyl-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 5-[4-(3-bromophenyl)-3-pyridyl]-7-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 5-[4-(3-bromophenyl)-3-pyridinyl]-7-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 5-[4-(3-bromophenyl)pyridin-3-yl]-7-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 5-[4-(3-bromophenyl)-3-pyridyl]-7-fluoro-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C21H19BrCl2FN3 MolecularWeight: 483.204063

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=CC(=C2)F)C3=C(C=CN=C3)C4=CC(=CC=C4)Br.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=C1C=CC(=C2)F)C3=C(C=CN=C3)C4=CC(=CC=C4)Br.Cl.Cl

InChI

InChI=1S/C21H17BrFN3.2ClH/c1-26-10-9-25-21(18-12-16(23)5-6-20(18)26)19-13-24-8-7-17(19)14-3-2-4-15(22)11-14;;/h2-8,11-13H,9-10H2,1H3;2*1H