6,7-dimethoxy-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-[2-(2-pyridinyl)ethynyl]-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[7-(2-pyridin-2-ylethynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-[2-(2-pyridyl)ethynyl]-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CC5=CC=CC=N5)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CC5=CC=CC=N5)OCO4)OC

InChI

InChI=1S/C26H18N4O4/c1-31-22-11-19-21(12-23(22)32-2)29-14-17(13-27)24(19)30-20-9-7-16(25-26(20)34-15-33-25)6-8-18-5-3-4-10-28-18/h3-5,7,9-12,14H,15H2,1-2H3,(H,29,30)