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

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxidanyl-propan-1-one Openeye Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-3-hydroxy-propan-1-one CAS Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-hydroxy-1-propanone IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-3-hydroxypropan-1-one Traditional Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-3-hydroxy-propan-1-one Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c22-16-3-1-14(2-4-16)20-19(17-5-9-23-13-24-17)21(26-25-20)15-6-10-27(11-7-15)18(29)8-12-28/h1-5,9,13,15,28H,6-8,10-12H2,(H,25,26)