N-ethyl-7-fluoranyl-2-(2-methylpyrimidin-5-yl)-N-(2-pyrazol-1-ylethyl)quinoline-4-carboxamide

Systemtic Name: N-ethyl-7-fluoranyl-2-(2-methylpyrimidin-5-yl)-N-(2-pyrazol-1-ylethyl)quinoline-4-carboxamide Openeye Name: N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(2-pyrazol-1-ylethyl)quinoline-4-carboxamide CAS Name: N-ethyl-7-fluoro-2-(2-methyl-5-pyrimidinyl)-N-[2-(1-pyrazolyl)ethyl]-4-quinolinecarboxamide IUPAC Name: N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(2-pyrazol-1-ylethyl)quinoline-4-carboxamide Traditional Name: N-ethyl-7-fluoro-2-(2-methylpyrimidin-5-yl)-N-(2-pyrazol-1-ylethyl)cinchoninamide Formula: C22H21FN6O MolecularWeight: 404.440143

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CN=C(N=C4)C

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)C2=CC(=NC3=C2C=CC(=C3)F)C4=CN=C(N=C4)C

InChI

InChI=1S/C22H21FN6O/c1-3-28(9-10-29-8-4-7-26-29)22(30)19-12-20(16-13-24-15(2)25-14-16)27-21-11-17(23)5-6-18(19)21/h4-8,11-14H,3,9-10H2,1-2H3