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

Systemtic Name: N-(2-ethanoylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Openeye Name: N-(2-acetylphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propanamide hydrate tetrahydrochloride CAS Name: N-(2-acetylphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propanamide hydrate tetrahydrochloride IUPAC Name: N-(2-acetylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide hydrate tetrahydrochloride Traditional Name: N-(2-acetylphenyl)-3-[4-(2-pyridyl)piperazino]propionamide hydrate tetrahydrochloride Formula: C40H54Cl4N8O5 MolecularWeight: 868.71936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.CC(=O)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.CC(=O)C1=CC=CC=C1NC(=O)CCN2CCN(CC2)C3=CC=CC=N3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C20H24N4O2.4ClH.H2O/c2*1-16(25)17-6-2-3-7-18(17)22-20(26)9-11-23-12-14-24(15-13-23)19-8-4-5-10-21-19;;;;;/h2*2-8,10H,9,11-15H2,1H3,(H,22,26);4*1H;1H2