N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-methylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-5-(4-piperidyl)-1-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-5-(4-piperidyl)-1-(p-tolyl)pyrazole-4-carboxamide Formula: C22H22BrFN4O MolecularWeight: 457.338683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrFN4O/c1-14-2-5-17(6-3-14)28-21(15-8-10-25-11-9-15)18(13-26-28)22(29)27-20-7-4-16(23)12-19(20)24/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29)