4-(4-fluorophenyl)-2-methyl-5-[2-[methyl(phenyl)amino]pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[methyl(phenyl)amino]pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-2-methyl-5-[2-(N-methylanilino)pyrimidin-4-yl]-1-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-(N-methylanilino)-4-pyrimidinyl]-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-2-methyl-5-[2-(N-methylanilino)pyrimidin-4-yl]-1-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-2-methyl-5-[2-(N-methylanilino)pyrimidin-4-yl]-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C26H27FN6O MolecularWeight: 458.530583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)N(C)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN6O/c1-31(20-6-4-3-5-7-20)26-29-17-14-22(30-26)24-23(18-8-10-19(27)11-9-18)25(34)32(2)33(24)21-12-15-28-16-13-21/h3-11,14,17,21,28H,12-13,15-16H2,1-2H3