[(1R)-2-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate

Systemtic Name: [(1R)-2-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate Openeye Name: [(1R)-2-(5-chloro-2-pyridyl)-3-oxo-isoindolin-1-yl] 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-1-piperazinecarboxylic acid [(1R)-2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] ester IUPAC Name: [(1R)-2-(5-chloropyridin-2-yl)-3-oxo-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid [(1R)-2-(5-chloro-2-pyridyl)-3-keto-isoindolin-1-yl] ester Formula: C19H19ClN4O3 MolecularWeight: 386.83216

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)O[C@@H]2C3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN4O3/c1-22-8-10-23(11-9-22)19(26)27-18-15-5-3-2-4-14(15)17(25)24(18)16-7-6-13(20)12-21-16/h2-7,12,18H,8-11H2,1H3/t18-/m1/s1