7-[3-[bis(fluoranyl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[bis(fluoranyl)methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[3-(difluoromethyl)piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[3-(difluoromethyl)-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[3-(difluoromethyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[3-(difluoromethyl)piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C(F)F)F)C(=O)O

InChI

InChI=1S/C18H18F3N3O3/c19-12-5-10-14(6-15(12)23-4-3-22-13(8-23)17(20)21)24(9-1-2-9)7-11(16(10)25)18(26)27/h5-7,9,13,17,22H,1-4,8H2,(H,26,27)