7-(2-pyridin-3-ylethynyl)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile

Systemtic Name: 7-(2-pyridin-3-ylethynyl)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile Openeye Name: 7-[2-(3-pyridyl)ethynyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile CAS Name: 7-[2-(3-pyridinyl)ethynyl]-4-(3,4,5-trimethoxyanilino)-3-quinolinecarbonitrile IUPAC Name: 7-(2-pyridin-3-ylethynyl)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Traditional Name: 7-[2-(3-pyridyl)ethynyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Formula: C26H20N4O3 MolecularWeight: 436.462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=C3C=CC(=CC3=NC=C2C#N)C#CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=C3C=CC(=CC3=NC=C2C#N)C#CC4=CN=CC=C4

InChI

InChI=1S/C26H20N4O3/c1-31-23-12-20(13-24(32-2)26(23)33-3)30-25-19(14-27)16-29-22-11-17(8-9-21(22)25)6-7-18-5-4-10-28-15-18/h4-5,8-13,15-16H,1-3H3,(H,29,30)