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

Systemtic Name: 3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-one Openeye Name: 3-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-one CAS Name: 3-methyl-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-6,7-dihydro-5H-benzofuran-4-one IUPAC Name: 3-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one Traditional Name: 3-methyl-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]-6,7-dihydro-5H-benzofuran-4-one Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(OC2=C1C(=O)CCC2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N4O3/c1-12-15-13(23)4-2-5-14(15)25-16(12)17(24)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h3,6-7H,2,4-5,8-11H2,1H3