6-fluoranyl-N,N-dimethyl-2-[1-(phenylmethyl)pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: 6-fluoranyl-N,N-dimethyl-2-[1-(phenylmethyl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: 2-(1-benzylpyrazol-4-yl)-6-fluoro-N,N-dimethyl-quinoline-4-carboxamide CAS Name: 6-fluoro-N,N-dimethyl-2-[1-(phenylmethyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-benzylpyrazol-4-yl)-6-fluoro-N,N-dimethylquinoline-4-carboxamide Traditional Name: 2-(1-benzylpyrazol-4-yl)-6-fluoro-N,N-dimethyl-cinchoninamide Formula: C22H19FN4O MolecularWeight: 374.410863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)F)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19FN4O/c1-26(2)22(28)19-11-21(25-20-9-8-17(23)10-18(19)20)16-12-24-27(14-16)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3