2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-hexyl-quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-hexyl-quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-hexyl-quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-hexyl-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-hexylquinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-hexyl-cinchoninamide Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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