N-hexyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-hexyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-hexyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-hexyl-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-hexyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-hexyl-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C22H28N4O MolecularWeight: 364.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3C)C)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H28N4O/c1-5-6-7-10-13-23-22(27)18-14-20(21-15(2)25-26(4)16(21)3)24-19-12-9-8-11-17(18)19/h8-9,11-12,14H,5-7,10,13H2,1-4H3,(H,23,27)