1,5-diphenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one trihydrochloride

Systemtic Name: 1,5-diphenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one trihydrochloride Openeye Name: 1,5-diphenyl-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one trihydrochloride CAS Name: 1,5-diphenyl-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-3-pyrazolone trihydrochloride IUPAC Name: 1,5-diphenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one trihydrochloride Traditional Name: 1,5-diphenyl-2-[3-[4-(2-pyridyl)piperazino]propyl]-3-pyrazolin-3-one trihydrochloride Formula: C27H32Cl3N5O MolecularWeight: 548.93488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5.Cl.Cl.Cl

InChI

InChI=1S/C27H29N5O.3ClH/c33-27-22-25(23-10-3-1-4-11-23)32(24-12-5-2-6-13-24)31(27)17-9-16-29-18-20-30(21-19-29)26-14-7-8-15-28-26;;;/h1-8,10-15,22H,9,16-21H2;3*1H