2-azanylhexanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanylhexanoic acid; 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 2-aminohexanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 2-aminohexanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-aminohexanoic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 2-aminohexanoic acid; 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C23H31FN4O5 MolecularWeight: 462.514443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CCCCC(C(=O)O)N.C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C17H18FN3O3.C6H13NO2/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-2-3-4-5(7)6(8)9/h7-10,19H,1-6H2,(H,23,24);5H,2-4,7H2,1H3,(H,8,9)