7-[4-(2-azanyl-1-cyano-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanyl-1-cyano-ethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-1-cyano-ethylidene)-1-piperidyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-1-cyanoethylidene)-1-piperidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-1-cyanoethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-1-cyano-ethylidene)piperidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(=C(CN)C#N)CC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(=C(CN)C#N)CC4)F)C(=O)O

InChI

InChI=1S/C21H21FN4O3/c22-17-7-15-18(26(14-1-2-14)11-16(20(15)27)21(28)29)8-19(17)25-5-3-12(4-6-25)13(9-23)10-24/h7-8,11,14H,1-6,9,23H2,(H,28,29)