N-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride

Systemtic Name: N-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride Openeye Name: N-(o-tolyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate hydrochloride CAS Name: N-(2-methylphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate hydrochloride IUPAC Name: N-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride Traditional Name: N-(o-tolyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate hydrochloride Formula: C19H27ClN4O2 MolecularWeight: 378.89628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl

InChI

InChI=1S/C19H24N4O.ClH.H2O/c1-16-6-2-3-7-17(16)21-19(24)9-11-22-12-14-23(15-13-22)18-8-4-5-10-20-18;;/h2-8,10H,9,11-15H2,1H3,(H,21,24);1H;1H2