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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-(2-phenylcyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-1-(2-phenylcyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-(2-phenylcyclopropyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-1-(2-phenylcyclopropyl)-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(2-phenylcyclopropyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4C5=CC=CC=C5)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4C5=CC=CC=C5)F

InChI

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