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

Systemtic Name: 2-(1,5-dimethylpyrazol-4-yl)-N-hexyl-quinoline-4-carboxamide Openeye Name: 2-(1,5-dimethylpyrazol-4-yl)-N-hexyl-quinoline-4-carboxamide CAS Name: 2-(1,5-dimethyl-4-pyrazolyl)-N-hexyl-4-quinolinecarboxamide IUPAC Name: 2-(1,5-dimethylpyrazol-4-yl)-N-hexylquinoline-4-carboxamide Traditional Name: 2-(1,5-dimethylpyrazol-4-yl)-N-hexyl-cinchoninamide Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-4-5-6-9-12-22-21(26)17-13-20(18-14-23-25(3)15(18)2)24-19-11-8-7-10-16(17)19/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,22,26)