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

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-octadecyl-quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-octadecyl-quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-octadecyl-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-stearyl-cinchoninamide Formula: C34H52N4O MolecularWeight: 532.80288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52N4O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-35-34(39)30-26-33(31-27-36-38(5-2)28(31)3)37-32-24-21-20-23-29(30)32/h20-21,23-24,26-27H,4-19,22,25H2,1-3H3,(H,35,39)