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

Systemtic Name: 6,7-dimethoxy-4-[[7-(3-morpholin-4-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[7-(3-morpholinoprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-[3-(4-morpholinyl)prop-1-ynyl]-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[7-(3-morpholin-4-ylprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-(3-morpholinoprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C26H24N4O5 MolecularWeight: 472.49256

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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#CCN5CCOCC5)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=C(C=C3)C#CCN5CCOCC5)OCO4)OC

InChI

InChI=1S/C26H24N4O5/c1-31-22-12-19-21(13-23(22)32-2)28-15-18(14-27)24(19)29-20-6-5-17(25-26(20)35-16-34-25)4-3-7-30-8-10-33-11-9-30/h5-6,12-13,15H,7-11,16H2,1-2H3,(H,28,29)