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

Systemtic Name: 4-[[7-(2-cyanoethyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[[7-(2-cyanoethyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[[7-(2-cyanoethyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[[7-(2-cyanoethyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[[7-(2-cyanoethyl)-1,3-benzodioxol-4-yl]amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C22H18N4O4 MolecularWeight: 402.40272

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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)CCC#N)OCO4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-27-18-8-15-17(9-19(18)28-2)25-11-14(10-24)20(15)26-16-6-5-13(4-3-7-23)21-22(16)30-12-29-21/h5-6,8-9,11H,3-4,12H2,1-2H3,(H,25,26)