1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride

Systemtic Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride Openeye Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-(4-phenyl-1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]-3-(4-phenylpiperazino)propan-1-one hydrochloride Formula: C21H25ClN6O MolecularWeight: 412.9158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O.ClH/c1-17-19(16-24-27(17)21-22-9-5-10-23-21)20(28)8-11-25-12-14-26(15-13-25)18-6-3-2-4-7-18;/h2-7,9-10,16H,8,11-15H2,1H3;1H