[2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate

Systemtic Name: [2-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate Openeye Name: [2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]phenyl] ester IUPAC Name: [2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]phenyl] ester Formula: C24H24N4O3 MolecularWeight: 416.47236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CC=CC=C3OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O3/c29-22(27-15-17-28(18-16-27)24-25-13-6-14-26-24)12-11-19-7-4-5-10-21(19)31-23(30)20-8-2-1-3-9-20/h1-10,13-14H,11-12,15-18H2