1,5-dimethyl-2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[[4-(2-pyrimidyl)piperazino]methyl]-3-pyrazolin-3-one Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6O/c1-16-18(19(27)26(23(16)2)17-7-4-3-5-8-17)15-24-11-13-25(14-12-24)20-21-9-6-10-22-20/h3-10H,11-15H2,1-2H3