3-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(2S,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(2S,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C18H20N3O4- MolecularWeight: 342.3691

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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

C[C@@H]1CCC[C@@H](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)/p-1/t11-,12+