N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3,5-dimethylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylanilino)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide Traditional Name: 2-(3,5-dimethylanilino)-N-homoveratryl-cinchoninamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)NCCC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C28H29N3O3/c1-18-13-19(2)15-21(14-18)30-27-17-23(22-7-5-6-8-24(22)31-27)28(32)29-12-11-20-9-10-25(33-3)26(16-20)34-4/h5-10,13-17H,11-12H2,1-4H3,(H,29,32)(H,30,31)