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

Systemtic Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(cyanomethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(cyanomethyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H19FN4O3 MolecularWeight: 370.377563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC#N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC#N)F)C(=O)O

InChI

InChI=1S/C19H19FN4O3/c20-15-9-13-16(10-17(15)23-7-5-22(4-3-21)6-8-23)24(12-1-2-12)11-14(18(13)25)19(26)27/h9-12H,1-2,4-8H2,(H,26,27)