tert-butyl 4-[3-cyclopropyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-6-fluoranyl-benzimidazol-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-cyclopropyl-2-(2-ethoxy-2-oxidanylidene-ethyl)-6-fluoranyl-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyclopropyl-2-(2-ethoxy-2-oxo-ethyl)-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyclopropyl-2-(2-ethoxy-2-oxoethyl)-6-fluoro-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-cyclopropyl-2-(2-ethoxy-2-oxoethyl)-6-fluorobenzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[3-cyclopropyl-2-(2-ethoxy-2-keto-ethyl)-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H31FN4O4 MolecularWeight: 446.515043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCN(CC4)C(=O)OC(C)(C)C)F

Isomeric SMILES

CCOC(=O)CC1=NC2=CC(=C(C=C2N1C3CC3)N4CCN(CC4)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C23H31FN4O4/c1-5-31-21(29)14-20-25-17-12-16(24)18(13-19(17)28(20)15-6-7-15)26-8-10-27(11-9-26)22(30)32-23(2,3)4/h12-13,15H,5-11,14H2,1-4H3