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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CN(C(CN1C(=O)OC2CC2)F)C3=CC4=C(C=C3)N=CN4)CC(=O)N

Isomeric SMILES

CC(C)(C)C1(CN(C(CN1C(=O)OC2CC2)F)C3=CC4=C(C=C3)N=CN4)CC(=O)N

InChI

InChI=1S/C21H28FN5O3/c1-20(2,3)21(9-18(23)28)11-26(13-4-7-15-16(8-13)25-12-24-15)17(22)10-27(21)19(29)30-14-5-6-14/h4,7-8,12,14,17H,5-6,9-11H2,1-3H3,(H2,23,28)(H,24,25)