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

Systemtic Name: tert-butyl 1-[2-(2-azanyl-2-oxidanylidene-ethyl)-3-cyclopropyl-6-fluoranyl-benzimidazol-5-yl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(2-amino-2-oxo-ethyl)-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]pyrrolidine-2-carboxylate CAS Name: 1-[2-(2-amino-2-oxoethyl)-3-cyclopropyl-6-fluoro-5-benzimidazolyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(2-amino-2-oxoethyl)-3-cyclopropyl-6-fluorobenzimidazol-5-yl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(2-amino-2-keto-ethyl)-3-cyclopropyl-6-fluoro-benzimidazol-5-yl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C(=N3)CC(=O)N)C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C2=C(C=C3C(=C2)N(C(=N3)CC(=O)N)C4CC4)F

InChI

InChI=1S/C21H27FN4O3/c1-21(2,3)29-20(28)15-5-4-8-25(15)16-10-17-14(9-13(16)22)24-19(11-18(23)27)26(17)12-6-7-12/h9-10,12,15H,4-8,11H2,1-3H3,(H2,23,27)