N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenylquinoline-4-carboxamide Traditional Name: 6-methyl-2-phenyl-N-piperonyl-cinchoninamide Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

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