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

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybutanoate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]oxybutanoate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]oxybutanoate Traditional Name: 4-[6-cyano-4-(piperonylamino)quinazolin-2-yl]oxybutyric acid ethyl ester Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CCCOC1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N4O5/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/h5-8,10-11H,2-4,9,13-14H2,1H3,(H,25,26,27)