[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-quinolin-2-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-quinolin-2-ylpropanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N5O3/c28-20(26-12-14-27(15-13-26)22-23-10-3-11-24-22)16-30-21(29)9-8-18-7-6-17-4-1-2-5-19(17)25-18/h1-7,10-11H,8-9,12-16H2