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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C31H30N4O MolecularWeight: 474.5961

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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=C5CC)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=C5CC)C)C

InChI

InChI=1S/C31H30N4O/c1-5-22-14-16-24(17-15-22)35-21(4)27(19-32-35)29-18-26(25-12-7-8-13-28(25)33-29)31(36)34-30-20(3)10-9-11-23(30)6-2/h7-19H,5-6H2,1-4H3,(H,34,36)