1-ethyl-6-fluoranyl-3-(6-nitro-1,3-benzothiazol-2-yl)-7-piperazin-1-yl-quinolin-4-one

Systemtic Name: 1-ethyl-6-fluoranyl-3-(6-nitro-1,3-benzothiazol-2-yl)-7-piperazin-1-yl-quinolin-4-one Openeye Name: 1-ethyl-6-fluoro-3-(6-nitro-1,3-benzothiazol-2-yl)-7-piperazin-1-yl-quinolin-4-one CAS Name: 1-ethyl-6-fluoro-3-(6-nitro-1,3-benzothiazol-2-yl)-7-(1-piperazinyl)-4-quinolinone IUPAC Name: 1-ethyl-6-fluoro-3-(6-nitro-1,3-benzothiazol-2-yl)-7-piperazin-1-ylquinolin-4-one Traditional Name: 1-ethyl-6-fluoro-3-(6-nitro-1,3-benzothiazol-2-yl)-7-piperazino-4-quinolone Formula: C22H20FN5O3S MolecularWeight: 453.489303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H20FN5O3S/c1-2-26-12-15(22-25-17-4-3-13(28(30)31)9-20(17)32-22)21(29)14-10-16(23)19(11-18(14)26)27-7-5-24-6-8-27/h3-4,9-12,24H,2,5-8H2,1H3