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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(3-fluorophenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(3-fluorophenyl)-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(3-fluorophenyl)-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=CC(=CC=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

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

InChI

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