1,7,7-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3-oxabicyclo[2.2.1]heptan-2-one

Systemtic Name: 1,7,7-trimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3-oxabicyclo[2.2.1]heptan-2-one Openeye Name: 1,7,7-trimethyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-oxabicyclo[2.2.1]heptan-2-one CAS Name: 1,7,7-trimethyl-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-oxabicyclo[2.2.1]heptan-2-one IUPAC Name: 1,7,7-trimethyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-oxabicyclo[2.2.1]heptan-2-one Traditional Name: 1,7,7-trimethyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-3-oxabicyclo[2.2.1]heptan-2-one Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)N3CCN(CC3)C4=NC=CC=N4)C)C

InChI

InChI=1S/C18H24N4O3/c1-16(2)17(3)5-6-18(16,25-14(17)24)13(23)21-9-11-22(12-10-21)15-19-7-4-8-20-15/h4,7-8H,5-6,9-12H2,1-3H3