N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Openeye Name: N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinolinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-(2-acetamidoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)NCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O4/c1-14(26)23-8-9-24-22(27)17-13-19(25-18-5-3-2-4-16(17)18)15-6-7-20-21(12-15)29-11-10-28-20/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27)