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

Systemtic Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(phenylmethyl)quinoline-4-carboxamide Openeye Name: N-benzyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: 2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-N-(phenylmethyl)-4-quinolinecarboxamide IUPAC Name: N-benzyl-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-benzyl-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C29H26N4O MolecularWeight: 446.54294

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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)NCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5)C

InChI

InChI=1S/C29H26N4O/c1-3-21-13-15-23(16-14-21)33-20(2)26(19-31-33)28-17-25(24-11-7-8-12-27(24)32-28)29(34)30-18-22-9-5-4-6-10-22/h4-17,19H,3,18H2,1-2H3,(H,30,34)