6,7-dimethoxy-4-[[7-(5-morpholin-4-ylpent-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-4-[[7-(5-morpholin-4-ylpent-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[7-(5-morpholinopent-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-[5-(4-morpholinyl)pent-1-ynyl]-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[7-(5-morpholin-4-ylpent-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-(5-morpholinopent-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C28H28N4O5 MolecularWeight: 500.54572

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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#CCCCN5CCOCC5)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCCCN5CCOCC5)OCO4)OC

InChI

InChI=1S/C28H28N4O5/c1-33-24-14-21-23(15-25(24)34-2)30-17-20(16-29)26(21)31-22-8-7-19(27-28(22)37-18-36-27)6-4-3-5-9-32-10-12-35-13-11-32/h7-8,14-15,17H,3,5,9-13,18H2,1-2H3,(H,30,31)