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

Systemtic Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]-methyl-amino]acetate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]-methylamino]acetate Traditional Name: 2-[[6-cyano-4-(piperonylamino)quinazolin-2-yl]-methyl-amino]acetic acid ethyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-3-29-20(28)12-27(2)22-25-17-6-4-14(10-23)8-16(17)21(26-22)24-11-15-5-7-18-19(9-15)31-13-30-18/h4-9H,3,11-13H2,1-2H3,(H,24,25,26)