6-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 6-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 6-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 6-fluoro-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 6-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 6-fluoro-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C21H18FN3O3 MolecularWeight: 379.384323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)CC2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4

InChI

InChI=1S/C21H18FN3O3/c22-14-6-7-17-15(10-14)19(21(27)28)16(11-25-9-8-23-18(26)12-25)20(24-17)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,26)(H,27,28)