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

Systemtic Name: 7-[4-(2-azanyl-3-oxidanyl-propanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-3-hydroxy-propanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-3-hydroxy-1-oxopropyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-3-hydroxypropanoyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-3-hydroxy-propanoyl)piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H23FN4O5 MolecularWeight: 418.418823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN4O5/c21-14-7-12-16(25(11-1-2-11)9-13(18(12)27)20(29)30)8-17(14)23-3-5-24(6-4-23)19(28)15(22)10-26/h7-9,11,15,26H,1-6,10,22H2,(H,29,30)