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

Systemtic Name: 6-methoxy-7-(2-pyridin-3-ylethynyl)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile Openeye Name: 6-methoxy-7-[2-(3-pyridyl)ethynyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile CAS Name: 6-methoxy-7-[2-(3-pyridinyl)ethynyl]-4-(3,4,5-trimethoxyanilino)-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-7-(2-pyridin-3-ylethynyl)-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Traditional Name: 6-methoxy-7-[2-(3-pyridyl)ethynyl]-4-(3,4,5-trimethoxyanilino)quinoline-3-carbonitrile Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O4/c1-32-23-13-21-22(10-18(23)8-7-17-6-5-9-29-15-17)30-16-19(14-28)26(21)31-20-11-24(33-2)27(35-4)25(12-20)34-3/h5-6,9-13,15-16H,1-4H3,(H,30,31)