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

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(oxiran-2-ylmethoxy)quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(oxiran-2-ylmethoxy)quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(2-oxiranylmethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(oxiran-2-ylmethoxy)quinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-glycidoxy-6-methoxy-quinoline-3-carbonitrile Formula: C21H17N3O5 MolecularWeight: 391.37678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCC5CO5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCC5CO5

InChI

InChI=1S/C21H17N3O5/c1-25-18-5-14-16(6-19(18)27-10-13-9-26-13)23-8-12(7-22)20(14)24-15-3-2-4-17-21(15)29-11-28-17/h2-6,8,13H,9-11H2,1H3,(H,23,24)