N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Traditional Name: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-2-(1,3-benzodioxol-5-yl)cinchoninamide Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)NC(=O)C

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)/C5=CC(=CC=C5)NC(=O)C

InChI

InChI=1S/C27H22N4O4/c1-16(18-6-5-7-20(12-18)28-17(2)32)30-31-27(33)22-14-24(29-23-9-4-3-8-21(22)23)19-10-11-25-26(13-19)35-15-34-25/h3-14H,15H2,1-2H3,(H,28,32)(H,31,33)/b30-16+