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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-isoamyl-cinchoninamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-14(2)9-10-23-22(25)17-12-19(24-18-6-4-3-5-16(17)18)15-7-8-20-21(11-15)27-13-26-20/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,25)