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

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[(phenylmethyl)amino]pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 5-[2-(benzylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[(phenylmethyl)amino]-4-pyrimidinyl]-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 5-[2-(benzylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 5-[2-(benzylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-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)NCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)NCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN6O/c1-32-25(34)23(19-7-9-20(27)10-8-19)24(33(32)21-11-14-28-15-12-21)22-13-16-29-26(31-22)30-17-18-5-3-2-4-6-18/h2-10,13,16,21,28H,11-12,14-15,17H2,1H3,(H,29,30,31)