5-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 5-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 5-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 5-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 5-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C19H21BrCl2N2O MolecularWeight: 444.19284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O.2ClH/c1-22-12-11-21-17(15-5-3-4-6-18(15)22)9-7-14-8-10-19(23-2)16(20)13-14;;/h3-10,13H,11-12H2,1-2H3;2*1H/b9-7+;;