N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methyl-quinoline-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methyl-quinoline-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methylquinoline-4-carboxamide Traditional Name: 2-methyl-N-[2-(piperonylcarbamoyl)phenyl]cinchoninamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O4/c1-16-12-20(18-6-2-4-8-21(18)28-16)26(31)29-22-9-5-3-7-19(22)25(30)27-14-17-10-11-23-24(13-17)33-15-32-23/h2-13H,14-15H2,1H3,(H,27,30)(H,29,31)