6,7-bis(fluoranyl)-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6,7-difluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6,7-difluoro-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6,7-difluoro-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H17F2N3O3 MolecularWeight: 397.374786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(C3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(C3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F)C(=O)O

InChI

InChI=1S/C21H17F2N3O3/c22-15-8-13-17(9-16(15)23)25-20(12-4-2-1-3-5-12)14(19(13)21(28)29)10-26-7-6-24-18(27)11-26/h1-5,8-9H,6-7,10-11H2,(H,24,27)(H,28,29)