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

Systemtic Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one CAS Name: 1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C22H26N6O MolecularWeight: 390.48144

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O/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