4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-methoxyethoxy)quinoline-3-carbonitrile Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C4C(=CC=C3)OCO4)C#N)OC

Isomeric SMILES

COCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=C4C(=CC=C3)OCO4)C#N)OC

InChI

InChI=1S/C21H19N3O5/c1-25-6-7-27-19-9-16-14(8-18(19)26-2)20(13(10-22)11-23-16)24-15-4-3-5-17-21(15)29-12-28-17/h3-5,8-9,11H,6-7,12H2,1-2H3,(H,23,24)