2-[4-[3-(4-chloranyl-2-fluoranyl-phenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidin-2-yl]oxy-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-[3-(4-chloranyl-2-fluoranyl-phenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidin-2-yl]oxy-N,N-dimethyl-ethanamine Openeye Name: 2-[4-[3-(4-chloro-2-fluoro-phenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]oxy-N,N-dimethyl-ethanamine CAS Name: 2-[[4-[3-(4-chloro-2-fluorophenyl)-5-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]oxy]-N,N-dimethylethanamine IUPAC Name: 2-[4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidin-2-yl]oxy-N,N-dimethylethanamine Traditional Name: 2-[4-[3-(4-chloro-2-fluoro-phenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]oxyethyl-dimethyl-amine Formula: C22H26ClFN6O MolecularWeight: 444.932843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=NC=CC(=N1)C2=C(NN=C2C3=C(C=C(C=C3)Cl)F)C4CCNCC4

Isomeric SMILES

CN(C)CCOC1=NC=CC(=N1)C2=C(NN=C2C3=C(C=C(C=C3)Cl)F)C4CCNCC4

InChI

InChI=1S/C22H26ClFN6O/c1-30(2)11-12-31-22-26-10-7-18(27-22)19-20(14-5-8-25-9-6-14)28-29-21(19)16-4-3-15(23)13-17(16)24/h3-4,7,10,13-14,25H,5-6,8-9,11-12H2,1-2H3,(H,28,29)