[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

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