4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-piperidin-4-yl-pyrazol-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxy-4-pyrimidinyl)-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-2-methyl-5-(2-phenoxypyrimidin-4-yl)-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C25H24FN5O2 MolecularWeight: 445.488763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=O)C(=C(N1C2CCNCC2)C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H24FN5O2/c1-30-24(32)22(17-7-9-18(26)10-8-17)23(31(30)19-11-14-27-15-12-19)21-13-16-28-25(29-21)33-20-5-3-2-4-6-20/h2-10,13,16,19,27H,11-12,14-15H2,1H3