but-2-ynyl 3-[4-(5-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methyl-pyrrolidine-1-carboxylate

Systemtic Name: but-2-ynyl 3-[4-(5-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methyl-pyrrolidine-1-carboxylate Openeye Name: but-2-ynyl 3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]-3-methyl-pyrrolidine-1-carboxylate CAS Name: 3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-3-methyl-1-pyrrolidinecarboxylic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 3-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate Traditional Name: 3-[4-(5-fluoro-2-keto-3H-benzimidazol-1-yl)piperidino]-3-methyl-pyrrolidine-1-carboxylic acid but-2-ynyl ester Formula: C22H27FN4O3 MolecularWeight: 414.473183

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)N1CCC(C1)(C)N2CCC(CC2)N3C4=C(C=C(C=C4)F)NC3=O

Isomeric SMILES

CC#CCOC(=O)N1CCC(C1)(C)N2CCC(CC2)N3C4=C(C=C(C=C4)F)NC3=O

InChI

InChI=1S/C22H27FN4O3/c1-3-4-13-30-21(29)25-12-9-22(2,15-25)26-10-7-17(8-11-26)27-19-6-5-16(23)14-18(19)24-20(27)28/h5-6,14,17H,7-13,15H2,1-2H3,(H,24,28)