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

Systemtic Name: 1-methyl-5-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 5-[(E)-2-(2-benzyloxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 5-[(E)-2-(2-benzoxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C25H26Cl2N2O MolecularWeight: 441.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3OCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3OCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H24N2O.2ClH/c1-27-18-17-26-23(22-12-6-7-13-24(22)27)16-15-21-11-5-8-14-25(21)28-19-20-9-3-2-4-10-20;;/h2-16H,17-19H2,1H3;2*1H/b16-15+;;