3,6,6-trimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-5,7-dihydro-1-benzofuran-4-one

Systemtic Name: 3,6,6-trimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-5,7-dihydro-1-benzofuran-4-one Openeye Name: 3,6,6-trimethyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-5,7-dihydrobenzofuran-4-one CAS Name: 3,6,6-trimethyl-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5,7-dihydrobenzofuran-4-one IUPAC Name: 3,6,6-trimethyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-5,7-dihydro-1-benzofuran-4-one Traditional Name: 3,6,6-trimethyl-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]-5,7-dihydrobenzofuran-4-one Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N4O3/c1-13-16-14(25)11-20(2,3)12-15(16)27-17(13)18(26)23-7-9-24(10-8-23)19-21-5-4-6-22-19/h4-6H,7-12H2,1-3H3