3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride Openeye Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-[4-(o-tolyl)piperazin-1-yl]propan-1-one hydrochloride CAS Name: 3-[4-(2-methylphenyl)-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone hydrochloride IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one hydrochloride Traditional Name: 1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]-3-[4-(o-tolyl)piperazino]propan-1-one hydrochloride Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=NC=CC=N4)C.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=NC=CC=N4)C.Cl

InChI

InChI=1S/C22H26N6O.ClH/c1-17-6-3-4-7-20(17)27-14-12-26(13-15-27)11-8-21(29)19-16-25-28(18(19)2)22-23-9-5-10-24-22;/h3-7,9-10,16H,8,11-15H2,1-2H3;1H