N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyphenyl)-6-fluoranyl-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyphenyl)-6-fluoranyl-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyphenyl)-6-fluoro-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyphenyl)-6-fluoro-4-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyphenyl)-6-fluoroquinoline-4-carboxamide Traditional Name: 2-(2,4-dimethoxyphenyl)-6-fluoro-N-piperonyl-cinchoninamide Formula: C26H21FN2O5 MolecularWeight: 460.453743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H21FN2O5/c1-31-17-5-6-18(24(11-17)32-2)22-12-20(19-10-16(27)4-7-21(19)29-22)26(30)28-13-15-3-8-23-25(9-15)34-14-33-23/h3-12H,13-14H2,1-2H3,(H,28,30)