1,8,8-trimethyl-5-(4-phenylpiperazin-1-yl)carbonyl-3-oxabicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 1,8,8-trimethyl-5-(4-phenylpiperazin-1-yl)carbonyl-3-oxabicyclo[3.2.1]octane-2,4-dione Openeye Name: 1,8,8-trimethyl-5-(4-phenylpiperazine-1-carbonyl)-3-oxabicyclo[3.2.1]octane-2,4-dione CAS Name: 1,8,8-trimethyl-5-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-oxabicyclo[3.2.1]octane-2,4-dione IUPAC Name: 1,8,8-trimethyl-5-(4-phenylpiperazine-1-carbonyl)-3-oxabicyclo[3.2.1]octane-2,4-dione Traditional Name: 1,8,8-trimethyl-5-(4-phenylpiperazine-1-carbonyl)-3-oxabicyclo[3.2.1]octane-2,4-quinone Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-19(2)20(3)9-10-21(19,18(26)27-17(20)25)16(24)23-13-11-22(12-14-23)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3