2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-homoveratryl-cinchoninamide Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H24N2O5/c1-31-23-9-7-17(13-25(23)32-2)11-12-28-27(30)20-15-22(29-21-6-4-3-5-19(20)21)18-8-10-24-26(14-18)34-16-33-24/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,30)