ethyl 1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-amino-2-fluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C22H22F2N4O3 MolecularWeight: 428.431886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)N)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)C4=C(C=C(C=C4)N)F

InChI

InChI=1S/C22H22F2N4O3/c1-2-31-22(30)15-12-28(18-4-3-13(25)9-16(18)23)19-11-20(27-7-5-26-6-8-27)17(24)10-14(19)21(15)29/h3-4,9-12,26H,2,5-8,25H2,1H3