N-(3-ethanoylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride

Systemtic Name: N-(3-ethanoylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Openeye Name: N-(3-acetylphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate dihydrochloride CAS Name: N-(3-acetylphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate dihydrochloride IUPAC Name: N-(3-acetylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate dihydrochloride Traditional Name: N-(3-acetylphenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate dihydrochloride Formula: C20H28Cl2N4O3 MolecularWeight: 443.36732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2.2ClH.H2O/c1-16(25)17-5-4-6-18(15-17)22-20(26)8-10-23-11-13-24(14-12-23)19-7-2-3-9-21-19;;;/h2-7,9,15H,8,10-14H2,1H3,(H,22,26);2*1H;1H2