N-(2-chloranyl-4-methyl-phenyl)-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-(3-fluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)C4CCNCC4)Cl

InChI

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