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

Systemtic Name: [2-[3-oxidanylidene-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate Openeye Name: [2-[3-oxo-3-[4-(2-pyridyl)piperazin-1-yl]propyl]phenyl] benzoate CAS Name: benzoic acid [2-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]phenyl] ester IUPAC Name: [2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]phenyl] benzoate Traditional Name: benzoic acid [2-[3-keto-3-[4-(2-pyridyl)piperazino]propyl]phenyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c29-24(28-18-16-27(17-19-28)23-12-6-7-15-26-23)14-13-20-8-4-5-11-22(20)31-25(30)21-9-2-1-3-10-21/h1-12,15H,13-14,16-19H2