[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] N-butylcarbamate

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] N-butylcarbamate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [1-(1,3-dioxo-2-isoindolyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(1,3-dioxoisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C25H31N5O4 MolecularWeight: 465.54474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCNC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N5O4/c1-2-3-11-27-25(33)34-19(18-30-23(31)20-8-4-5-9-21(20)24(30)32)17-28-13-15-29(16-14-28)22-10-6-7-12-26-22/h4-10,12,19H,2-3,11,13-18H2,1H3,(H,27,33)