1-[(3-chlorophenyl)methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)methyl]-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-[(3-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)methyl]-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(3-chlorobenzyl)-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H18ClF2N3O3 MolecularWeight: 433.835726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC4=CC(=CC=C4)Cl)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CC4=CC(=CC=C4)Cl)F

InChI

InChI=1S/C21H18ClF2N3O3/c22-13-3-1-2-12(8-13)10-27-11-15(21(29)30)20(28)14-9-16(23)19(17(24)18(14)27)26-6-4-25-5-7-26/h1-3,8-9,11,25H,4-7,10H2,(H,29,30)