5,8,8-trimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 5,8,8-trimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione Openeye Name: 5,8,8-trimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione CAS Name: 5,8,8-trimethyl-3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-azabicyclo[3.2.1]octane-2,4-dione IUPAC Name: 5,8,8-trimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione Traditional Name: 5,8,8-trimethyl-3-[4-[4-(2-pyrimidyl)piperazino]butyl]-3-azabicyclo[3.2.1]octane-2,4-quinone Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C)C

Isomeric SMILES

CC1(C2CCC1(C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C)C

InChI

InChI=1S/C22H33N5O2/c1-21(2)17-7-8-22(21,3)19(29)27(18(17)28)12-5-4-11-25-13-15-26(16-14-25)20-23-9-6-10-24-20/h6,9-10,17H,4-5,7-8,11-16H2,1-3H3