1-[5-(4-chlorophenyl)-3-piperidin-4-yl-4-pyrimidin-4-yl-pyrazol-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[5-(4-chlorophenyl)-3-piperidin-4-yl-4-pyrimidin-4-yl-pyrazol-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[5-(4-chlorophenyl)-3-(4-piperidyl)-4-pyrimidin-4-yl-pyrazol-1-yl]-2-hydroxy-ethanone CAS Name: 1-[5-(4-chlorophenyl)-3-(4-piperidinyl)-4-(4-pyrimidinyl)-1-pyrazolyl]-2-hydroxyethanone IUPAC Name: 1-[5-(4-chlorophenyl)-3-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-1-yl]-2-hydroxyethanone Traditional Name: 1-[5-(4-chlorophenyl)-3-(4-piperidyl)-4-(4-pyrimidyl)pyrazol-1-yl]-2-hydroxy-ethanone Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NN(C(=C2C3=NC=NC=C3)C4=CC=C(C=C4)Cl)C(=O)CO

Isomeric SMILES

C1CNCCC1C2=NN(C(=C2C3=NC=NC=C3)C4=CC=C(C=C4)Cl)C(=O)CO

InChI

InChI=1S/C20H20ClN5O2/c21-15-3-1-14(2-4-15)20-18(16-7-10-23-12-24-16)19(13-5-8-22-9-6-13)25-26(20)17(28)11-27/h1-4,7,10,12-13,22,27H,5-6,8-9,11H2