[4-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate

Systemtic Name: [4-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate Openeye Name: [4-oxo-2-[4-(4-pyridyl)piperazin-1-yl]-1-(thiazol-2-ylmethyl)-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [4-oxo-2-(4-pyridin-4-yl-1-piperazinyl)-1-(2-thiazolylmethyl)-3-quinolinyl] ester IUPAC Name: [4-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-keto-2-[4-(4-pyridyl)piperazino]-1-(thiazol-2-ylmethyl)-3-quinolyl] ester Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C3=C(C(=O)C4=CC=CC=C4N3CC5=NC=CS5)OC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C3=C(C(=O)C4=CC=CC=C4N3CC5=NC=CS5)OC(=O)O

InChI

InChI=1S/C23H21N5O4S/c29-20-17-3-1-2-4-18(17)28(15-19-25-9-14-33-19)22(21(20)32-23(30)31)27-12-10-26(11-13-27)16-5-7-24-8-6-16/h1-9,14H,10-13,15H2,(H,30,31)