1-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[5-(1-pyrrolyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]isonipecotamide Formula: C21H20F3N5O2 MolecularWeight: 431.41101

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4

InChI

InChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-3-5-16(12-15)29-19(27-8-1-2-9-27)17(13-26-29)20(31)28-10-6-14(7-11-28)18(25)30/h1-5,8-9,12-14H,6-7,10-11H2,(H2,25,30)