5-(4-pyridin-4-ylpiperazin-1-yl)-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one

Systemtic Name: 5-(4-pyridin-4-ylpiperazin-1-yl)-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Openeye Name: 5-[4-(4-pyridyl)piperazin-1-yl]-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one CAS Name: 5-(4-pyridin-4-yl-1-piperazinyl)-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one IUPAC Name: 5-(4-pyridin-4-ylpiperazin-1-yl)-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Traditional Name: 5-[4-(4-pyridyl)piperazino]-3-azabicyclo[2.2.2]octa-1(6),4,7-trien-2-one Formula: C16H16N4O MolecularWeight: 280.32444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C3=C4C=CC(=C3)C(=O)N4

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=C4C=CC(=C3)C(=O)N4

InChI

InChI=1S/C16H16N4O/c21-16-12-1-2-14(18-16)15(11-12)20-9-7-19(8-10-20)13-3-5-17-6-4-13/h1-6,11H,7-10H2,(H,18,21)