1-ethyl-4-oxidanylidene-7-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-4-oxidanylidene-7-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-4-oxo-7-[4-(4-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-4-oxo-7-(4-pyridin-4-yl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-4-oxo-7-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-[4-(4-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C21H22N4O3/c1-2-23-14-18(21(27)28)20(26)17-4-3-16(13-19(17)23)25-11-9-24(10-12-25)15-5-7-22-8-6-15/h3-8,13-14H,2,9-12H2,1H3,(H,27,28)