N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-butoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-butoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-2-(3-butoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-butoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-butoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[(E)-piperonylideneamino]cinchoninamide Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H25N3O4/c1-2-3-13-33-21-8-6-7-20(15-21)25-16-23(22-9-4-5-10-24(22)30-25)28(32)31-29-17-19-11-12-26-27(14-19)35-18-34-26/h4-12,14-17H,2-3,13,18H2,1H3,(H,31,32)/b29-17+