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

Systemtic Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]-methoxy-amino]butanoate Openeye Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]-methoxy-amino]butanoate CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-methoxyamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]-methoxyamino]butanoate Traditional Name: 4-[[6-cyano-4-(piperonylamino)quinazolin-2-yl]-methoxy-amino]butyric acid ethyl ester Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCOC(=O)CCCN(C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H25N5O5/c1-3-32-22(30)5-4-10-29(31-2)24-27-19-8-6-16(13-25)11-18(19)23(28-24)26-14-17-7-9-20-21(12-17)34-15-33-20/h6-9,11-12H,3-5,10,14-15H2,1-2H3,(H,26,27,28)