2-[2-oxidanylidene-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(6-piperidinopyrimidin-4-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C23H26N6O3 MolecularWeight: 434.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H26N6O3/c30-21(15-29-22(31)17-6-2-3-7-18(17)23(29)32)28-12-10-27(11-13-28)20-14-19(24-16-25-20)26-8-4-1-5-9-26/h2-3,6-7,14,16H,1,4-5,8-13,15H2