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

Systemtic Name: N-cyclooctyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-cyclooctyl-2-[1-(4-isopropylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-cyclooctyl-2-[5-methyl-1-(4-propan-2-ylphenyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-cyclooctyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-cyclooctyl-2-(5-methyl-1-p-cumenyl-pyrazol-4-yl)cinchoninamide Formula: C31H36N4O MolecularWeight: 480.64374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)C(C)C)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCCCC5

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)C(C)C)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5CCCCCCC5

InChI

InChI=1S/C31H36N4O/c1-21(2)23-15-17-25(18-16-23)35-22(3)28(20-32-35)30-19-27(26-13-9-10-14-29(26)34-30)31(36)33-24-11-7-5-4-6-8-12-24/h9-10,13-21,24H,4-8,11-12H2,1-3H3,(H,33,36)