N-(2,6-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride

Systemtic Name: N-(2,6-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride Openeye Name: N-(2,6-dimethylphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate hydrochloride CAS Name: N-(2,6-dimethylphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate hydrochloride IUPAC Name: N-(2,6-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate hydrochloride Traditional Name: N-(2,6-dimethylphenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate hydrochloride Formula: C20H29ClN4O2 MolecularWeight: 392.92286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl

InChI

InChI=1S/C20H26N4O.ClH.H2O/c1-16-6-5-7-17(2)20(16)22-19(25)9-11-23-12-14-24(15-13-23)18-8-3-4-10-21-18;;/h3-8,10H,9,11-15H2,1-2H3,(H,22,25);1H;1H2