1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-phthalazin-1-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-1-phthalazinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methylphthalazin-1-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-methyl-4-(piperonylamino)phthalazin-1-yl]isonipecotic acid Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN=C2NCC3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C23H24N4O4/c1-14-2-4-17-18(10-14)21(24-12-15-3-5-19-20(11-15)31-13-30-19)25-26-22(17)27-8-6-16(7-9-27)23(28)29/h2-5,10-11,16H,6-9,12-13H2,1H3,(H,24,25)(H,28,29)