2-(2-azanylethanoyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-(2-azanylethanoyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-(2-aminoacetyl)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-(2-amino-1-oxoethyl)-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(2-aminoacetyl)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-2-glycyl-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H21FN4O4 MolecularWeight: 388.392843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C(=O)CN)C(=O)O)F)N4CCNCC4

Isomeric SMILES

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C(=O)CN)C(=O)O)F)N4CCNCC4

InChI

InChI=1S/C19H21FN4O4/c20-12-7-11-13(8-14(12)23-5-3-22-4-6-23)24(10-1-2-10)17(15(25)9-21)16(18(11)26)19(27)28/h7-8,10,22H,1-6,9,21H2,(H,27,28)