1-methyl-5-[(E)-2-pyridin-3-ylethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 1-methyl-5-[(E)-2-(3-pyridyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-(3-pyridinyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-pyridin-3-ylethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 1-methyl-5-[(E)-2-(3-pyridyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C17H19Cl2N3 MolecularWeight: 336.25886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CN=CC=C3.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C17H17N3.2ClH/c1-20-12-11-19-16(15-6-2-3-7-17(15)20)9-8-14-5-4-10-18-13-14;;/h2-10,13H,11-12H2,1H3;2*1H/b9-8+;;