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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)N3C(CCCC3C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C(=O)N3[C@H](CCC[C@@H]3C)C

InChI

InChI=1S/C21H27N3O4/c1-5-23-20(26)17-12-7-6-11-16(17)18(22-23)21(27)28-15(4)19(25)24-13(2)9-8-10-14(24)3/h6-7,11-15H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1