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

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-(phenylmethyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-benzyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-(phenylmethyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-benzyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-benzyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H20FN3O3 MolecularWeight: 381.400203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

InChI

InChI=1S/C21H20FN3O3/c22-17-10-15-18(11-19(17)24-8-6-23-7-9-24)25(12-14-4-2-1-3-5-14)13-16(20(15)26)21(27)28/h1-5,10-11,13,23H,6-9,12H2,(H,27,28)