8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-dione

Systemtic Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-dione Openeye Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-dione CAS Name: 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-dione IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-dione Traditional Name: 8-[4-[4-(2-pyrimidyl)piperazino]butyl]-8-azabicyclo[4.3.1]dec-3-ene-7,9-quinone Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3CC=CCC(C3)C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3CC=CCC(C3)C2=O)C4=NC=CC=N4

InChI

InChI=1S/C21H29N5O2/c27-19-17-6-1-2-7-18(16-17)20(28)26(19)11-4-3-10-24-12-14-25(15-13-24)21-22-8-5-9-23-21/h1-2,5,8-9,17-18H,3-4,6-7,10-16H2