6-chloranyl-1-ethyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-ethyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-ethyl-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-chloro-1-ethyl-4-oxo-7-(4-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-ethyl-4-oxo-7-(4-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-chloro-1-ethyl-4-keto-7-(4-phenylpiperazino)quinoline-3-carboxylic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C22H22ClN3O3/c1-2-24-14-17(22(28)29)21(27)16-12-18(23)20(13-19(16)24)26-10-8-25(9-11-26)15-6-4-3-5-7-15/h3-7,12-14H,2,8-11H2,1H3,(H,28,29)