N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylanilino)quinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylanilino)quinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,5-dimethylanilino)cinchoninamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4COC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCC4COC5=CC=CC=C5O4)C

InChI

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