N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-phenyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-phenyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-phenyl-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-8-phenylquinoline-4-carboxamide Traditional Name: 2-methyl-8-phenyl-N-piperonyl-cinchoninamide Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2C3=CC=CC=C3)C(=C1)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=CC=C2C3=CC=CC=C3)C(=C1)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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