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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-butan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-butan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-butan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-sec-butylphenyl)cinchoninamide Formula: C27H24N2O3 MolecularWeight: 424.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H24N2O3/c1-3-17(2)18-8-11-20(12-9-18)28-27(30)22-15-24(29-23-7-5-4-6-21(22)23)19-10-13-25-26(14-19)32-16-31-25/h4-15,17H,3,16H2,1-2H3,(H,28,30)