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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=CC(=CC=C3)Cl)C4=NC=NC=C4)C(=O)CO

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC(=CC=C3)Cl)C4=NC=NC=C4)C(=O)CO

InChI

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