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

Systemtic Name: 1-ethyl-6-fluoranyl-3-(6-nitro-1H-benzimidazol-2-yl)-7-piperazin-1-yl-quinolin-4-one Openeye Name: 1-ethyl-6-fluoro-3-(6-nitro-1H-benzimidazol-2-yl)-7-piperazin-1-yl-quinolin-4-one CAS Name: 1-ethyl-6-fluoro-3-(6-nitro-1H-benzimidazol-2-yl)-7-(1-piperazinyl)-4-quinolinone IUPAC Name: 1-ethyl-6-fluoro-3-(6-nitro-1H-benzimidazol-2-yl)-7-piperazin-1-ylquinolin-4-one Traditional Name: 1-ethyl-6-fluoro-3-(6-nitro-1H-benzimidazol-2-yl)-7-piperazino-4-quinolone Formula: C22H21FN6O3 MolecularWeight: 436.438943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21FN6O3/c1-2-27-12-15(22-25-17-4-3-13(29(31)32)9-18(17)26-22)21(30)14-10-16(23)20(11-19(14)27)28-7-5-24-6-8-28/h3-4,9-12,24H,2,5-8H2,1H3,(H,25,26)