6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1-prop-2-enyl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1-prop-2-enyl-quinoline-3-carboxylic acid Openeye Name: 1-allyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-7-(1-piperazinyl)-1-prop-2-enyl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-prop-2-enylquinoline-3-carboxylic acid Traditional Name: 1-allyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H17F2N3O3 MolecularWeight: 349.331986

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

Isomeric SMILES

C=CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C17H17F2N3O3/c1-2-5-22-9-11(17(24)25)16(23)10-8-12(18)15(13(19)14(10)22)21-6-3-20-4-7-21/h2,8-9,20H,1,3-7H2,(H,24,25)