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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4O4/c24-16-12-15-17(13-18(16)27-10-8-26-9-11-27)28(14-5-6-14)21(20(22(15)30)23(31)32)19(29)4-2-1-3-7-25/h12-14,26H,1-11,25H2,(H,31,32)