N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-p-phenetyl-cinchoninamide Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H26N4O3/c1-4-36-22-16-14-20(15-17-22)26-18-24(23-12-8-9-13-25(23)30-26)28(34)31-27-19(2)32(3)33(29(27)35)21-10-6-5-7-11-21/h5-18H,4H2,1-3H3,(H,31,34)