7-[4-(4-azanyl-2-oxidanyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-azanyl-2-oxidanyl-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-amino-2-hydroxy-butanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-amino-2-hydroxy-1-oxobutyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(4-amino-2-hydroxybutanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(4-amino-2-hydroxy-butanoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25FN4O5 MolecularWeight: 432.445403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C(CCN)O)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)C(CCN)O)F)C(=O)O

InChI

InChI=1S/C21H25FN4O5/c22-15-9-13-16(26(12-1-2-12)11-14(19(13)28)21(30)31)10-17(15)24-5-7-25(8-6-24)20(29)18(27)3-4-23/h9-12,18,27H,1-8,23H2,(H,30,31)