N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-4-[2-(3-thiophen-2-ylpyrazol-1-yl)ethanoylamino]piperidine-4-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-4-[[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]amino]piperidine-4-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-4-[[1-oxo-2-(3-thiophen-2-yl-1-pyrazolyl)ethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-4-[[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]amino]piperidine-4-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-4-[[2-[3-(2-thienyl)pyrazol-1-yl]acetyl]amino]isonipecotamide Formula: C22H23F2N5O2S MolecularWeight: 459.512126

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(=O)NCC2=C(C=C(C=C2)F)F)NC(=O)CN3C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CNCCC1(C(=O)NCC2=C(C=C(C=C2)F)F)NC(=O)CN3C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C22H23F2N5O2S/c23-16-4-3-15(17(24)12-16)13-26-21(31)22(6-8-25-9-7-22)27-20(30)14-29-10-5-18(28-29)19-2-1-11-32-19/h1-5,10-12,25H,6-9,13-14H2,(H,26,31)(H,27,30)