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

Systemtic Name: 4-[(5-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(5-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 4-[(5-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(5-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 4-[(5-cyano-1,3-benzodioxol-4-yl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=CC4=C3OCO4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=CC4=C3OCO4)C#N)OC

InChI

InChI=1S/C20H14N4O4/c1-25-16-5-13-14(6-17(16)26-2)23-9-12(8-22)18(13)24-19-11(7-21)3-4-15-20(19)28-10-27-15/h3-6,9H,10H2,1-2H3,(H,23,24)