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

Systemtic Name: tert-butyl 4-[2-(2-azanyl-2-oxidanylidene-ethyl)-3-ethyl-6-fluoranyl-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-amino-2-oxo-ethyl)-3-ethyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-amino-2-oxoethyl)-3-ethyl-6-fluoro-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-amino-2-oxoethyl)-3-ethyl-6-fluorobenzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-amino-2-keto-ethyl)-3-ethyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28FN5O3 MolecularWeight: 405.466423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N=C1CC(=O)N)F)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=CC(=C(C=C2N=C1CC(=O)N)F)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28FN5O3/c1-5-26-16-11-15(13(21)10-14(16)23-18(26)12-17(22)27)24-6-8-25(9-7-24)19(28)29-20(2,3)4/h10-11H,5-9,12H2,1-4H3,(H2,22,27)