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

Systemtic Name: 1-methyl-5-[(E)-2-(3-phenoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 1-methyl-5-[(E)-2-(3-phenoxyphenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-(3-phenoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-(3-phenoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 1-methyl-5-[(E)-2-(3-phenoxyphenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C24H24Cl2N2O MolecularWeight: 427.36616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC(=CC=C3)OC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H22N2O.2ClH/c1-26-17-16-25-23(22-12-5-6-13-24(22)26)15-14-19-8-7-11-21(18-19)27-20-9-3-2-4-10-20;;/h2-15,18H,16-17H2,1H3;2*1H/b15-14+;;