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

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-3-phenyl-propan-1-one Openeye Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-3-phenyl-propan-1-one CAS Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-3-phenyl-1-propanone IUPAC Name: 1-[2-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one Traditional Name: 1-[2-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-3-phenyl-propan-1-one Formula: C27H26ClN5O2 MolecularWeight: 487.98064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)C(CC5=CC=CC=C5)O

Isomeric SMILES

C1CCN(C(C1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)C(CC5=CC=CC=C5)O

InChI

InChI=1S/C27H26ClN5O2/c28-20-11-9-19(10-12-20)25-24(21-13-14-29-17-30-21)26(32-31-25)22-8-4-5-15-33(22)27(35)23(34)16-18-6-2-1-3-7-18/h1-3,6-7,9-14,17,22-23,34H,4-5,8,15-16H2,(H,31,32)