N-[2,4-bis(fluoranyl)phenyl]-1-(3-chloranyl-4-methyl-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(3-chloranyl-4-methyl-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-phenyl)-N-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: 1-(3-chloro-4-methylphenyl)-N-(2,4-difluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-chloro-4-methylphenyl)-N-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-phenyl)-N-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H21ClF2N4O MolecularWeight: 430.878146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClF2N4O/c1-13-2-4-16(11-18(13)23)29-21(14-6-8-26-9-7-14)17(12-27-29)22(30)28-20-5-3-15(24)10-19(20)25/h2-5,10-12,14,26H,6-9H2,1H3,(H,28,30)