4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[6-cyano-4-(piperonylamino)quinazolin-2-yl]cyclohexanecarboxylic acid Formula: C24H22N4O4 MolecularWeight: 430.45588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C24H22N4O4/c25-11-14-1-7-19-18(9-14)23(26-12-15-2-8-20-21(10-15)32-13-31-20)28-22(27-19)16-3-5-17(6-4-16)24(29)30/h1-2,7-10,16-17H,3-6,12-13H2,(H,29,30)(H,26,27,28)