[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H21N5O3/c28-19(26-12-14-27(15-13-26)22-24-10-3-11-25-22)16-30-20(29)8-7-18-5-1-4-17-6-2-9-23-21(17)18/h1-11H,12-16H2/b8-7+