2-ethyl-3-methyl-4-pyridin-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride

Systemtic Name: 2-ethyl-3-methyl-4-pyridin-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride Openeye Name: 2-ethyl-3-methyl-4-(2-pyridyl)-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride CAS Name: 2-ethyl-3-methyl-4-(2-pyridinyl)-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride IUPAC Name: 2-ethyl-3-methyl-4-pyridin-2-yl-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride Traditional Name: 2-ethyl-3-methyl-4-(2-pyridyl)-4,5-dihydro-1,3-benzodiazepine hydrate dihydrochloride Formula: C17H23Cl2N3O MolecularWeight: 356.29002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2CC(N1C)C3=CC=CC=N3.O.Cl.Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2CC(N1C)C3=CC=CC=N3.O.Cl.Cl

InChI

InChI=1S/C17H19N3.2ClH.H2O/c1-3-17-19-14-9-5-4-8-13(14)12-16(20(17)2)15-10-6-7-11-18-15;;;/h4-11,16H,3,12H2,1-2H3;2*1H;1H2