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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-piperonyl-cinchoninamide Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O3/c1-16-7-9-19(11-17(16)2)23-13-21(20-5-3-4-6-22(20)28-23)26(29)27-14-18-8-10-24-25(12-18)31-15-30-24/h3-13H,14-15H2,1-2H3,(H,27,29)