8-cyano-1-cyclopropyl-5,6-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-5,6-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-5,6-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-5,6-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-5,6-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-5,6-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H16F2N4O3 MolecularWeight: 374.341446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C(C(=C(C(=C32)C#N)N4CCNCC4)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C(C(=C(C(=C32)C#N)N4CCNCC4)F)F)C(=O)O

InChI

InChI=1S/C18H16F2N4O3/c19-13-12-15(24(9-1-2-9)8-11(17(12)25)18(26)27)10(7-21)16(14(13)20)23-5-3-22-4-6-23/h8-9,22H,1-6H2,(H,26,27)