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

Systemtic Name: 6,7-dimethoxy-4-[[7-(2-methoxyethyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-4-[[7-(2-methoxyethyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-4-[[7-(2-methoxyethyl)-1,3-benzodioxol-4-yl]amino]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-4-[[7-(2-methoxyethyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Traditional Name: 6,7-dimethoxy-4-[[7-(2-methoxyethyl)-1,3-benzodioxol-4-yl]amino]quinoline-3-carbonitrile Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C2C(=C(C=C1)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)OCO2

Isomeric SMILES

COCCC1=C2C(=C(C=C1)NC3=C(C=NC4=CC(=C(C=C43)OC)OC)C#N)OCO2

InChI

InChI=1S/C22H21N3O5/c1-26-7-6-13-4-5-16(22-21(13)29-12-30-22)25-20-14(10-23)11-24-17-9-19(28-3)18(27-2)8-15(17)20/h4-5,8-9,11H,6-7,12H2,1-3H3,(H,24,25)