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

Systemtic Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-methyl-amino]butanoate Openeye Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-methyl-amino]butanoate CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-2-quinazolinyl]-methylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyanoquinazolin-2-yl]-methylamino]butanoate Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-methyl-amino]butyric acid ethyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

Isomeric SMILES

CCOC(=O)CCCN(C)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

InChI

InChI=1S/C24H25N5O4/c1-3-31-22(30)5-4-10-29(2)24-27-20-9-7-16(13-25)11-19(20)23(28-24)26-14-17-6-8-18-15-32-33-21(18)12-17/h6-9,11-12H,3-5,10,14-15H2,1-2H3,(H,26,27,28)