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

Systemtic Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-phenyl-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-2-phenyl-1-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)-4-pyrimidinyl]-2-phenyl-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-phenyl-1-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-5-[2-[(2-methoxy-1-methyl-ethyl)amino]pyrimidin-4-yl]-2-phenyl-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C28H31FN6O2 MolecularWeight: 502.583143

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C3CCNCC3)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(COC)NC1=NC=CC(=N1)C2=C(C(=O)N(N2C3CCNCC3)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H31FN6O2/c1-19(18-37-2)32-28-31-17-14-24(33-28)26-25(20-8-10-21(29)11-9-20)27(36)35(22-6-4-3-5-7-22)34(26)23-12-15-30-16-13-23/h3-11,14,17,19,23,30H,12-13,15-16,18H2,1-2H3,(H,31,32,33)