[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidinylmethyl)benzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidinomethyl)benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N5O3/c28-20(26-12-14-27(15-13-26)22-23-8-3-9-24-22)17-30-21(29)19-6-4-18(5-7-19)16-25-10-1-2-11-25/h3-9H,1-2,10-17H2