N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C30H28N4O MolecularWeight: 460.56952

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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)NC5=C(C=CC=C5C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=CC=C5C)C)C

InChI

InChI=1S/C30H28N4O/c1-5-22-13-15-23(16-14-22)34-21(4)26(18-31-34)28-17-25(24-11-6-7-12-27(24)32-28)30(35)33-29-19(2)9-8-10-20(29)3/h6-18H,5H2,1-4H3,(H,33,35)