6-fluoranyl-4-oxidanylidene-1-(1-phenylcyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-(1-phenylcyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-1-(1-phenylcyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-(1-phenylcyclopropyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-1-(1-phenylcyclopropyl)-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-phenylcyclopropyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNCC5)F)C(=O)O

Isomeric SMILES

C1CC1(C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNCC5)F)C(=O)O

InChI

InChI=1S/C23H22FN3O3/c24-18-12-16-19(13-20(18)26-10-8-25-9-11-26)27(14-17(21(16)28)22(29)30)23(6-7-23)15-4-2-1-3-5-15/h1-5,12-14,25H,6-11H2,(H,29,30)