4-[3-(4-chloranyl-2-fluoranyl-phenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine

Systemtic Name: 4-[3-(4-chloranyl-2-fluoranyl-phenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine Openeye Name: 4-[3-(4-chloro-2-fluoro-phenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]pyrimidine CAS Name: 4-[3-(4-chloro-2-fluorophenyl)-5-(4-piperidinyl)-1H-pyrazol-4-yl]pyrimidine IUPAC Name: 4-[3-(4-chloro-2-fluorophenyl)-5-piperidin-4-yl-1H-pyrazol-4-yl]pyrimidine Traditional Name: 4-[3-(4-chloro-2-fluoro-phenyl)-5-(4-piperidyl)-1H-pyrazol-4-yl]pyrimidine Formula: C18H17ClFN5 MolecularWeight: 357.812483

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=NN2)C3=C(C=C(C=C3)Cl)F)C4=NC=NC=C4

Isomeric SMILES

C1CNCCC1C2=C(C(=NN2)C3=C(C=C(C=C3)Cl)F)C4=NC=NC=C4

InChI

InChI=1S/C18H17ClFN5/c19-12-1-2-13(14(20)9-12)18-16(15-5-8-22-10-23-15)17(24-25-18)11-3-6-21-7-4-11/h1-2,5,8-11,21H,3-4,6-7H2,(H,24,25)