4-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Openeye Name: 4-oxo-2-[4-(4-pyridyl)piperazin-1-yl]-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid CAS Name: 4-oxo-2-(4-pyridin-4-yl-1-piperazinyl)-1-(2-thiazolylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)-1-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxylic acid Traditional Name: 4-keto-2-[4-(4-pyridyl)piperazino]-1-(thiazol-2-ylmethyl)quinoline-3-carboxylic acid Formula: C23H21N5O3S MolecularWeight: 447.50954

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O3S/c29-21-17-3-1-2-4-18(17)28(15-19-25-9-14-32-19)22(20(21)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)