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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C22H26N6O.ClH/c1-18-20(16-25-28(18)22-23-9-5-10-24-22)21(29)8-11-26-12-14-27(15-13-26)17-19-6-3-2-4-7-19;/h2-7,9-10,16H,8,11-15,17H2,1H3;1H