[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(2-oxidanylcyclohexyl)methanone

Systemtic Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(2-oxidanylcyclohexyl)methanone Openeye Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-(2-hydroxycyclohexyl)methanone CAS Name: [4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-(2-hydroxycyclohexyl)methanone IUPAC Name: [4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(2-hydroxycyclohexyl)methanone Traditional Name: [4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-(2-hydroxycyclohexyl)methanone Formula: C25H28ClN5O2 MolecularWeight: 465.97512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC(CC2)C3=C(C(=NN3)C4=CC=C(C=C4)Cl)C5=NC=NC=C5)O

InChI

InChI=1S/C25H28ClN5O2/c26-18-7-5-16(6-8-18)23-22(20-9-12-27-15-28-20)24(30-29-23)17-10-13-31(14-11-17)25(33)19-3-1-2-4-21(19)32/h5-9,12,15,17,19,21,32H,1-4,10-11,13-14H2,(H,29,30)