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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-fluorophenyl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-(4-fluorophenyl)-2-methylquinoline-4-carboxamide Traditional Name: 8-(4-fluorophenyl)-2-methyl-N-piperonyl-cinchoninamide Formula: C25H19FN2O3 MolecularWeight: 414.428363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19FN2O3/c1-15-11-21(25(29)27-13-16-5-10-22-23(12-16)31-14-30-22)20-4-2-3-19(24(20)28-15)17-6-8-18(26)9-7-17/h2-12H,13-14H2,1H3,(H,27,29)