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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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