N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(m-tolyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylphenyl)quinoline-4-carboxamide Traditional Name: 2-(m-tolyl)-N-piperonyl-cinchoninamide Formula: C25H20N2O3 MolecularWeight: 396.4379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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