5-(4-methoxyphenyl)-2-methyl-3-(2-pyridin-4-ylethyl)-1,5-dihydro-2,4-benzodiazepine dihydrochloride

Systemtic Name: 5-(4-methoxyphenyl)-2-methyl-3-(2-pyridin-4-ylethyl)-1,5-dihydro-2,4-benzodiazepine dihydrochloride Openeye Name: 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-pyridyl)ethyl]-1,5-dihydro-2,4-benzodiazepine dihydrochloride CAS Name: 5-(4-methoxyphenyl)-2-methyl-3-(2-pyridin-4-ylethyl)-1,5-dihydro-2,4-benzodiazepine dihydrochloride IUPAC Name: 5-(4-methoxyphenyl)-2-methyl-3-(2-pyridin-4-ylethyl)-1,5-dihydro-2,4-benzodiazepine dihydrochloride Traditional Name: 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-pyridyl)ethyl]-1,5-dihydro-2,4-benzodiazepine dihydrochloride Formula: C24H27Cl2N3O MolecularWeight: 444.39668

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=NC=C3)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CN1CC2=CC=CC=C2C(N=C1CCC3=CC=NC=C3)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C24H25N3O.2ClH/c1-27-17-20-5-3-4-6-22(20)24(19-8-10-21(28-2)11-9-19)26-23(27)12-7-18-13-15-25-16-14-18;;/h3-6,8-11,13-16,24H,7,12,17H2,1-2H3;2*1H