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

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-bromoethyloxy)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-bromoethoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-bromoethoxy)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-bromoethoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-bromoethoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCBr

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCCBr

InChI

InChI=1S/C20H16BrN3O4/c1-25-17-7-13-15(8-18(17)26-6-5-21)23-10-12(9-22)19(13)24-14-3-2-4-16-20(14)28-11-27-16/h2-4,7-8,10H,5-6,11H2,1H3,(H,23,24)