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

Systemtic Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [(1R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [(2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C)C

InChI

InChI=1S/C22H29N3O4/c1-13(2)25-21(27)18-12-7-6-11-17(18)19(23-25)22(28)29-16(5)20(26)24-14(3)9-8-10-15(24)4/h6-7,11-16H,8-10H2,1-5H3/t14-,15-,16-/m1/s1