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

Systemtic Name: (2S)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-propan-1-one Openeye Name: (2S)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-propan-1-one CAS Name: (2S)-1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-1-propanone IUPAC Name: (2S)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one Traditional Name: (2S)-1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-propan-1-one Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)O

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)O

InChI

InChI=1S/C21H22ClN5O2/c1-13(28)21(29)27-10-7-15(8-11-27)20-18(17-6-9-23-12-24-17)19(25-26-20)14-2-4-16(22)5-3-14/h2-6,9,12-13,15,28H,7-8,10-11H2,1H3,(H,25,26)/t13-/m0/s1