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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cinchoninamide Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H22N4O4/c1-17-26(28(34)32(31(17)2)19-8-4-3-5-9-19)30-27(33)21-15-23(29-22-11-7-6-10-20(21)22)18-12-13-24-25(14-18)36-16-35-24/h3-15H,16H2,1-2H3,(H,30,33)