ethyl (E)-4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybut-2-enoate

Systemtic Name: ethyl (E)-4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybut-2-enoate Openeye Name: ethyl (E)-4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybut-2-enoate CAS Name: (E)-4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]oxy]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]oxybut-2-enoate Traditional Name: (E)-4-[6-cyano-4-(piperonylamino)quinazolin-2-yl]oxybut-2-enoic acid ethyl ester Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCOC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)/C=C/COC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N4O5/c1-2-29-21(28)4-3-9-30-23-26-18-7-5-15(12-24)10-17(18)22(27-23)25-13-16-6-8-19-20(11-16)32-14-31-19/h3-8,10-11H,2,9,13-14H2,1H3,(H,25,26,27)/b4-3+