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

Systemtic Name: tert-butyl 4-[2-(2-azanyl-2-oxidanylidene-ethyl)-3-cyclopropyl-6-fluoranyl-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-amino-2-oxo-ethyl)-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(2-amino-2-oxoethyl)-3-cyclopropyl-6-fluoro-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-amino-2-oxoethyl)-3-cyclopropyl-6-fluorobenzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(2-amino-2-keto-ethyl)-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28FN5O3 MolecularWeight: 417.477123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)N)C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C(=N3)CC(=O)N)C4CC4)F

InChI

InChI=1S/C21H28FN5O3/c1-21(2,3)30-20(29)26-8-6-25(7-9-26)16-11-17-15(10-14(16)22)24-19(12-18(23)28)27(17)13-4-5-13/h10-11,13H,4-9,12H2,1-3H3,(H2,23,28)