4-(4-cyclohexylcarbonylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-(4-cyclohexylcarbonylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(cyclohexanecarbonyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C25H28N4O3 MolecularWeight: 432.51482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C25H28N4O3/c30-23(19-7-2-1-3-8-19)28-14-12-27(13-15-28)21-10-4-9-20-22(21)25(32)29(24(20)31)17-18-6-5-11-26-16-18/h4-6,9-11,16,19H,1-3,7-8,12-15,17H2