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

Systemtic Name: 2-(2-azanylhexanoyl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-(2-aminohexanoyl)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-(2-amino-1-oxohexyl)-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-(2-aminohexanoyl)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-(2-aminohexanoyl)-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C23H29FN4O4 MolecularWeight: 444.499163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F)C(=O)O)N

Isomeric SMILES

CCCCC(C(=O)C1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F)C(=O)O)N

InChI

InChI=1S/C23H29FN4O4/c1-2-3-4-16(25)22(30)20-19(23(31)32)21(29)14-11-15(24)18(27-9-7-26-8-10-27)12-17(14)28(20)13-5-6-13/h11-13,16,26H,2-10,25H2,1H3,(H,31,32)