tert-butyl 1-[1-cyclopropyl-5-fluoranyl-2-(2-oxidanylideneethyl)benzimidazol-4-yl]piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[1-cyclopropyl-5-fluoranyl-2-(2-oxidanylideneethyl)benzimidazol-4-yl]piperazine-2-carboxylate Openeye Name: tert-butyl 1-[1-cyclopropyl-5-fluoro-2-(2-oxoethyl)benzimidazol-4-yl]piperazine-2-carboxylate CAS Name: 1-[1-cyclopropyl-5-fluoro-2-(2-oxoethyl)-4-benzimidazolyl]-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[1-cyclopropyl-5-fluoro-2-(2-oxoethyl)benzimidazol-4-yl]piperazine-2-carboxylate Traditional Name: 1-[1-cyclopropyl-5-fluoro-2-(2-ketoethyl)benzimidazol-4-yl]piperazine-2-carboxylic acid tert-butyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=C(C=CC3=C2N=C(N3C4CC4)CC=O)F

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=C(C=CC3=C2N=C(N3C4CC4)CC=O)F

InChI

InChI=1S/C21H27FN4O3/c1-21(2,3)29-20(28)16-12-23-9-10-25(16)19-14(22)6-7-15-18(19)24-17(8-11-27)26(15)13-4-5-13/h6-7,11,13,16,23H,4-5,8-10,12H2,1-3H3