N-[2,4-bis(fluoranyl)phenyl]-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,4-difluorophenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: N-(2,4-difluorophenyl)-1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotamide Formula: C26H22F3N5O2 MolecularWeight: 493.48039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NC5=C(C=C(C=C5)F)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NC5=C(C=C(C=C5)F)F

InChI

InChI=1S/C26H22F3N5O2/c27-18-5-8-20(9-6-18)34-25(32-11-1-2-12-32)21(15-30-34)26(36)33-13-3-4-17(16-33)24(35)31-23-10-7-19(28)14-22(23)29/h1-2,5-12,14-15,17H,3-4,13,16H2,(H,31,35)