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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-N-(4-bromophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C21H19BrF2N4O MolecularWeight: 461.302566

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C=NN2C3=C(C=C(C=C3)F)F)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CNCCC1C2=C(C=NN2C3=C(C=C(C=C3)F)F)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrF2N4O/c22-14-1-4-16(5-2-14)27-21(29)17-12-26-28(19-6-3-15(23)11-18(19)24)20(17)13-7-9-25-10-8-13/h1-6,11-13,25H,7-10H2,(H,27,29)