2-(1,3-benzodioxol-5-yl)-N-decyl-quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-decyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-decyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-decyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-decylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-decyl-cinchoninamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H32N2O3/c1-2-3-4-5-6-7-8-11-16-28-27(30)22-18-24(29-23-13-10-9-12-21(22)23)20-14-15-25-26(17-20)32-19-31-25/h9-10,12-15,17-18H,2-8,11,16,19H2,1H3,(H,28,30)