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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyano-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-cyanoquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-cyano-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)C#N)C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N5O4/c24-11-14-1-3-18-17(9-14)21(25-12-15-2-4-19-20(10-15)32-13-31-19)27-23(26-18)28-7-5-16(6-8-28)22(29)30/h1-4,9-10,16H,5-8,12-13H2,(H,29,30)(H,25,26,27)