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

Systemtic Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1-piperidin-4-yl-pyrazol-3-one Openeye Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1-(4-piperidyl)pyrazol-3-one CAS Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[[(1S)-1-phenylethyl]amino]-4-pyrimidinyl]-1-(4-piperidinyl)-3-pyrazolone IUPAC Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1-piperidin-4-ylpyrazol-3-one Traditional Name: 4-(4-fluorophenyl)-2-methyl-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1-(4-piperidyl)-3-pyrazolin-3-one Formula: C27H29FN6O MolecularWeight: 472.557163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=C(C(=O)N(N3C4CCNCC4)C)C5=CC=C(C=C5)F

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC2=NC=CC(=N2)C3=C(C(=O)N(N3C4CCNCC4)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)33(2)34(25)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1