6-chloranyl-1-ethyl-4-oxidanylidene-7-[4-(3-oxidanylidene-1H-2-benzofuran-1-yl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-ethyl-4-oxidanylidene-7-[4-(3-oxidanylidene-1H-2-benzofuran-1-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-ethyl-4-oxo-7-[4-(3-oxo-1H-isobenzofuran-1-yl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-chloro-1-ethyl-4-oxo-7-[4-(3-oxo-1H-isobenzofuran-1-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-ethyl-4-oxo-7-[4-(3-oxo-1H-2-benzofuran-1-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-chloro-1-ethyl-4-keto-7-(4-phthalidylpiperazino)quinoline-3-carboxylic acid Formula: C24H22ClN3O5 MolecularWeight: 467.90158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4C5=CC=CC=C5C(=O)O4)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4C5=CC=CC=C5C(=O)O4)Cl)C(=O)O

InChI

InChI=1S/C24H22ClN3O5/c1-2-26-13-17(23(30)31)21(29)16-11-18(25)20(12-19(16)26)27-7-9-28(10-8-27)22-14-5-3-4-6-15(14)24(32)33-22/h3-6,11-13,22H,2,7-10H2,1H3,(H,30,31)