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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(dimethylamino)quinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(dimethylamino)-4-(piperonylamino)quinazolin-2-yl]isonipecotic acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)N=C(N=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C24H27N5O4/c1-28(2)17-4-5-19-18(12-17)22(25-13-15-3-6-20-21(11-15)33-14-32-20)27-24(26-19)29-9-7-16(8-10-29)23(30)31/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,30,31)(H,25,26,27)