4-oxidanylidene-2-[2-(3-oxidanylidenebutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[2-(3-oxidanylidenebutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid Openeye Name: 4-oxo-2-[2-(3-oxobutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-2-[2-(3-oxobutyl)-1-piperazinyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 4-oxo-2-[2-(3-oxobutyl)piperazin-1-yl]-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-2-[2-(3-ketobutyl)piperazino]-1H-quinoline-3-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O

Isomeric SMILES

CC(=O)CCC1CNCCN1C2=C(C(=O)C3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C18H21N3O4/c1-11(22)6-7-12-10-19-8-9-21(12)17-15(18(24)25)16(23)13-4-2-3-5-14(13)20-17/h2-5,12,19H,6-10H2,1H3,(H,20,23)(H,24,25)