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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=NC=CC=N4)C

InChI

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