3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CC1CCCC(N1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C18H21N3O4/c1-11-6-5-7-12(2)21(11)15(22)10-20-17(23)14-9-4-3-8-13(14)16(19-20)18(24)25/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,24,25)