N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(2-ethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylanilino)quinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylanilino)quinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-ethylanilino)cinchoninamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N3O3/c1-2-18-9-3-5-11-22(18)29-26-15-21(20-10-4-6-12-23(20)30-26)27(31)28-16-19-17-32-24-13-7-8-14-25(24)33-19/h3-15,19H,2,16-17H2,1H3,(H,28,31)(H,29,30)