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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(p-tolylmethyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-methylbenzyl)cinchoninamide Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20N2O3/c1-16-6-8-17(9-7-16)14-26-25(28)20-13-22(27-21-5-3-2-4-19(20)21)18-10-11-23-24(12-18)30-15-29-23/h2-13H,14-15H2,1H3,(H,26,28)