N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylanilino)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylanilino)quinoline-4-carboxamide Traditional Name: 2-(2,3-dimethylanilino)-N-piperonyl-cinchoninamide Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H23N3O3/c1-16-6-5-9-21(17(16)2)28-25-13-20(19-7-3-4-8-22(19)29-25)26(30)27-14-18-10-11-23-24(12-18)32-15-31-23/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,29)