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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(1S)-1-methylpropyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(2S)-butan-2-yl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[(1S)-1-methylpropyl]cinchoninamide Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3/c1-3-13(2)22-21(24)16-11-18(23-17-7-5-4-6-15(16)17)14-8-9-19-20(10-14)26-12-25-19/h4-11,13H,3,12H2,1-2H3,(H,22,24)/t13-/m0/s1