N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-cyclooctyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C30H34N4O MolecularWeight: 466.61716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCCCC5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCCCC5)C

InChI

InChI=1S/C30H34N4O/c1-3-22-15-17-24(18-16-22)34-21(2)27(20-31-34)29-19-26(25-13-9-10-14-28(25)33-29)30(35)32-23-11-7-5-4-6-8-12-23/h9-10,13-20,23H,3-8,11-12H2,1-2H3,(H,32,35)