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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoranyl-7-piperazin-1-yl-quinolin-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-piperazin-1-yl-quinolin-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-(1-piperazinyl)-4-quinolinone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-ethyl-6-fluoro-7-piperazino-4-quinolone Formula: C22H21FN4OS MolecularWeight: 408.491743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21FN4OS/c1-2-26-13-15(22-25-17-5-3-4-6-20(17)29-22)21(28)14-11-16(23)19(12-18(14)26)27-9-7-24-8-10-27/h3-6,11-13,24H,2,7-10H2,1H3