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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(3-chloranyl-2-methyl-phenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(3-chloro-2-methyl-phenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C22H21BrClFN4O MolecularWeight: 491.783743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3=C(C=C(C=C3)Br)F)C4CCNCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NC3=C(C=C(C=C3)Br)F)C4CCNCC4

InChI

InChI=1S/C22H21BrClFN4O/c1-13-17(24)3-2-4-20(13)29-21(14-7-9-26-10-8-14)16(12-27-29)22(30)28-19-6-5-15(23)11-18(19)25/h2-6,11-12,14,26H,7-10H2,1H3,(H,28,30)