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

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-4-(2-ethylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(4-chlorophenyl)-4-(2-ethylpyrimidin-4-yl)-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(4-chlorophenyl)-4-(2-ethyl-4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-(2-ethylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(4-chlorophenyl)-4-(2-ethylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C22H24ClN5O2 MolecularWeight: 425.91126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)CO

Isomeric SMILES

CCC1=NC=CC(=N1)C2=C(NN=C2C3=CC=C(C=C3)Cl)C4CCN(CC4)C(=O)CO

InChI

InChI=1S/C22H24ClN5O2/c1-2-18-24-10-7-17(25-18)20-21(14-3-5-16(23)6-4-14)26-27-22(20)15-8-11-28(12-9-15)19(30)13-29/h3-7,10,15,29H,2,8-9,11-13H2,1H3,(H,26,27)