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

Systemtic Name: 6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-1-prop-2-ynyl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-prop-2-ynyl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-4-oxo-7-(1-piperazinyl)-1-prop-2-ynyl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-prop-2-ynylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-piperazino-1-propargyl-quinoline-3-carboxylic acid Formula: C17H15F2N3O3 MolecularWeight: 347.316106

Click to see the large picture

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/C17H15F2N3O3/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/h1,8-9,20H,3-7H2,(H,24,25)