N-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(m-tolyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-(3-methylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(m-tolyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)C4CCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)C4CCNCC4

InChI

InChI=1S/C22H22ClFN4O/c1-14-3-2-4-17(11-14)28-21(15-7-9-25-10-8-15)18(13-26-28)22(29)27-16-5-6-20(24)19(23)12-16/h2-6,11-13,15,25H,7-10H2,1H3,(H,27,29)