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

Systemtic Name: tert-butyl 4-[3-cyclopropyl-2-(2-diazanyl-2-oxidanylidene-ethyl)-6-fluoranyl-benzimidazol-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-(2-hydrazino-2-oxo-ethyl)benzimidazol-5-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyclopropyl-6-fluoro-2-(2-hydrazinyl-2-oxoethyl)-5-benzimidazolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-cyclopropyl-6-fluoro-2-(2-hydrazinyl-2-oxoethyl)benzimidazol-5-yl]piperazine-1-carboxylate Traditional Name: 4-[3-cyclopropyl-6-fluoro-2-(2-hydrazino-2-keto-ethyl)benzimidazol-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29FN6O3 MolecularWeight: 432.491763

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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)NN)C4CC4)F

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN6O3/c1-21(2,3)31-20(30)27-8-6-26(7-9-27)16-11-17-15(10-14(16)22)24-18(12-19(29)25-23)28(17)13-4-5-13/h10-11,13H,4-9,12,23H2,1-3H3,(H,25,29)