7-(4-cyanopiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4H-quinoline-4-carboxylic acid

Systemtic Name: 7-(4-cyanopiperazin-1-yl)-1-cyclopropyl-6-fluoranyl-4H-quinoline-4-carboxylic acid Openeye Name: 7-(4-cyanopiperazin-1-yl)-1-cyclopropyl-6-fluoro-4H-quinoline-4-carboxylic acid CAS Name: 7-(4-cyano-1-piperazinyl)-1-cyclopropyl-6-fluoro-4H-quinoline-4-carboxylic acid IUPAC Name: 7-(4-cyanopiperazin-1-yl)-1-cyclopropyl-6-fluoro-4H-quinoline-4-carboxylic acid Traditional Name: 7-(4-cyanopiperazino)-1-cyclopropyl-6-fluoro-4H-quinoline-4-carboxylic acid Formula: C18H19FN4O2 MolecularWeight: 342.367463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O2/c19-15-9-14-13(18(24)25)3-4-23(12-1-2-12)16(14)10-17(15)22-7-5-21(11-20)6-8-22/h3-4,9-10,12-13H,1-2,5-8H2,(H,24,25)