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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-yl-quinazolin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-yl-quinazolin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-(1-pyrazolyl)-2-quinazolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-pyrazol-1-ylquinazolin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(piperonylamino)-6-pyrazol-1-yl-quinazolin-2-yl]isonipecotic acid Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)N4C=CC=N4)C(=N2)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC3=C(C=C(C=C3)N4C=CC=N4)C(=N2)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N6O4/c32-24(33)17-6-10-30(11-7-17)25-28-20-4-3-18(31-9-1-8-27-31)13-19(20)23(29-25)26-14-16-2-5-21-22(12-16)35-15-34-21/h1-5,8-9,12-13,17H,6-7,10-11,14-15H2,(H,32,33)(H,26,28,29)