[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C22H29N3O4/c1-14(2)13-25-21(27)18-8-6-5-7-17(18)19(23-25)22(28)29-16(4)20(26)24-11-9-15(3)10-12-24/h5-8,14-16H,9-13H2,1-4H3/t16-/m0/s1