3-methylidene-2-[(2R)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindol-1-one

Systemtic Name: 3-methylidene-2-[(2R)-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindol-1-one Openeye Name: 3-methylene-2-[(1R)-1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoindolin-1-one CAS Name: 3-methylene-2-[(2R)-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-1-isoindolone IUPAC Name: 3-methylidene-2-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoindol-1-one Traditional Name: 2-[(1R)-2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]-3-methylene-isoindolin-1-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=C)C4=CC=CC=C4C3=O

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=NC=CC=N2)N3C(=C)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N5O2/c1-14-16-6-3-4-7-17(16)19(27)25(14)15(2)18(26)23-10-12-24(13-11-23)20-21-8-5-9-22-20/h3-9,15H,1,10-13H2,2H3/t15-/m1/s1