tert-butyl 4-(3-fluoranylpropyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-fluoranylpropyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-fluoropropyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-fluoropropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-fluoropropyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-fluoropropyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C13H25FN2O2 MolecularWeight: 260.348203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCCF

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCCF

InChI

InChI=1S/C13H25FN2O2/c1-13(2,3)18-12(17)16-9-5-8-15(10-11-16)7-4-6-14/h4-11H2,1-3H3