6-chloranyl-1-ethyl-4-oxidanylidene-7-(4-prop-2-enylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-ethyl-4-oxidanylidene-7-(4-prop-2-enylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 7-(4-allylpiperazin-1-yl)-6-chloro-1-ethyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-ethyl-4-oxo-7-(4-prop-2-enyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-ethyl-4-oxo-7-(4-prop-2-enylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 7-(4-allylpiperazino)-6-chloro-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC=C)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC=C)Cl)C(=O)O

InChI

InChI=1S/C19H22ClN3O3/c1-3-5-21-6-8-23(9-7-21)17-11-16-13(10-15(17)20)18(24)14(19(25)26)12-22(16)4-2/h3,10-12H,1,4-9H2,2H3,(H,25,26)