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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2,4-difluorophenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-(2,4-difluorophenyl)-1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(2,4-difluorophenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2,4-difluorophenyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C27H25F2N5O2 MolecularWeight: 489.516506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)F)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)F)F)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25F2N5O2/c1-18-24(26(32-13-5-6-14-32)34(31-18)21-7-3-2-4-8-21)27(36)33-15-11-19(12-16-33)25(35)30-23-10-9-20(28)17-22(23)29/h2-10,13-14,17,19H,11-12,15-16H2,1H3,(H,30,35)