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

Systemtic Name: 1-[6-aminocarbonyl-4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-carbamoyl-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-carbamoyl-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-carbamoylquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-carbamoyl-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O5/c24-20(29)15-2-3-17-16(10-15)21(25-11-13-1-4-18-19(9-13)33-12-32-18)27-23(26-17)28-7-5-14(6-8-28)22(30)31/h1-4,9-10,14H,5-8,11-12H2,(H2,24,29)(H,30,31)(H,25,26,27)