[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-oxidanylcyclohexyl)methanone

Systemtic Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-oxidanylcyclohexyl)methanone Openeye Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-(4-hydroxycyclohexyl)methanone CAS Name: [4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-(4-hydroxycyclohexyl)methanone IUPAC Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone Traditional Name: [4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-(4-hydroxycyclohexyl)methanone Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

Isomeric SMILES

C1CC(CCC1C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

InChI

InChI=1S/C25H28ClN5O2/c26-19-5-1-16(2-6-19)23-22(21-9-12-27-15-28-21)24(30-29-23)17-10-13-31(14-11-17)25(33)18-3-7-20(32)8-4-18/h1-2,5-6,9,12,15,17-18,20,32H,3-4,7-8,10-11,13-14H2,(H,29,30)