3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.3.1]nonane-2,4-dione

Systemtic Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.3.1]nonane-2,4-dione Openeye Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.3.1]nonane-2,4-dione CAS Name: 3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-3-azabicyclo[3.3.1]nonane-2,4-dione IUPAC Name: 3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.3.1]nonane-2,4-dione Traditional Name: 3-[4-[4-(2-pyrimidyl)piperazino]butyl]-3-azabicyclo[3.3.1]nonane-2,4-quinone Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC2CC(C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H29N5O2/c26-18-16-5-3-6-17(15-16)19(27)25(18)10-2-1-9-23-11-13-24(14-12-23)20-21-7-4-8-22-20/h4,7-8,16-17H,1-3,5-6,9-15H2