[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-benzamidobutanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-benzamidobutanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-benzamidobutanoate CAS Name: 4-benzamidobutanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-benzamidobutanoate Traditional Name: 4-benzamidobutyric acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c27-18(25-12-14-26(15-13-25)21-23-10-5-11-24-21)16-30-19(28)8-4-9-22-20(29)17-6-2-1-3-7-17/h1-3,5-7,10-11H,4,8-9,12-16H2,(H,22,29)