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

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C21H27N3O4/c1-13(2)24-20(26)17-11-6-5-10-16(17)19(22-24)21(27)28-12-18(25)23-14(3)8-7-9-15(23)4/h5-6,10-11,13-15H,7-9,12H2,1-4H3