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

Systemtic Name: 5-chloranyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-chloro-1-cyclopropyl-6,8-difluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-chloro-1-cyclopropyl-6,8-difluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-chloro-1-cyclopropyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-chloro-1-cyclopropyl-6,8-difluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C17H16ClF2N3O3 MolecularWeight: 383.777046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3Cl)F)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3Cl)F)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H16ClF2N3O3/c18-11-10-14(13(20)15(12(11)19)22-5-3-21-4-6-22)23(8-1-2-8)7-9(16(10)24)17(25)26/h7-8,21H,1-6H2,(H,25,26)