ethyl 1-[3-(4-ethanoylpiperazin-1-yl)phenyl]-6-fluoranyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[3-(4-ethanoylpiperazin-1-yl)phenyl]-6-fluoranyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-[3-(4-acetylpiperazin-1-yl)phenyl]-6-fluoro-benzimidazole-5-carboxylate CAS Name: 1-[3-(4-acetyl-1-piperazinyl)phenyl]-6-fluoro-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-acetylpiperazin-1-yl)phenyl]-6-fluorobenzimidazole-5-carboxylate Traditional Name: 1-[3-(4-acetylpiperazino)phenyl]-6-fluoro-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1F)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1F)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H23FN4O3/c1-3-30-22(29)18-12-20-21(13-19(18)23)27(14-24-20)17-6-4-5-16(11-17)26-9-7-25(8-10-26)15(2)28/h4-6,11-14H,3,7-10H2,1-2H3