4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-morpholin-4-yl-2-oxidanyl-propoxy)quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-6-methoxy-7-(3-morpholin-4-yl-2-oxidanyl-propoxy)quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-hydroxy-3-morpholino-propoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-7-[2-hydroxy-3-(4-morpholinyl)propoxy]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-(2-hydroxy-3-morpholino-propoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C25H26N4O6 MolecularWeight: 478.49714

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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)OCC(CN5CCOCC5)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCC(CN5CCOCC5)O

InChI

InChI=1S/C25H26N4O6/c1-31-22-9-18-20(10-23(22)33-14-17(30)13-29-5-7-32-8-6-29)27-12-16(11-26)24(18)28-19-3-2-4-21-25(19)35-15-34-21/h2-4,9-10,12,17,30H,5-8,13-15H2,1H3,(H,27,28)