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

Systemtic Name: 1-[4-[3-(4-ethylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(4-ethylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(4-ethylphenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(4-ethylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(4-ethylphenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO

InChI

InChI=1S/C22H25N5O2/c1-2-15-3-5-16(6-4-15)21-20(18-7-10-23-14-24-18)22(26-25-21)17-8-11-27(12-9-17)19(29)13-28/h3-7,10,14,17,28H,2,8-9,11-13H2,1H3,(H,25,26)