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

Systemtic Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butanoate Openeye Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butanoate CAS Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-2-quinazolinyl]-ethylamino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyanoquinazolin-2-yl]-ethylamino]butanoate Traditional Name: 4-[[4-(3H-1,2-benzodioxol-6-ylmethylamino)-6-cyano-quinazolin-2-yl]-ethyl-amino]butyric acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)OCC)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

Isomeric SMILES

CCN(CCCC(=O)OCC)C1=NC2=C(C=C(C=C2)C#N)C(=N1)NCC3=CC4=C(COO4)C=C3

InChI

InChI=1S/C25H27N5O4/c1-3-30(11-5-6-23(31)32-4-2)25-28-21-10-8-17(14-26)12-20(21)24(29-25)27-15-18-7-9-19-16-33-34-22(19)13-18/h7-10,12-13H,3-6,11,15-16H2,1-2H3,(H,27,28,29)