tert-butyl 4-[3-(4-cyano-3-fluoranyl-phenoxy)propyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-cyano-3-fluoranyl-phenoxy)propyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-cyano-3-fluoro-phenoxy)propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(4-cyano-3-fluorophenoxy)propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-cyano-3-fluorophenoxy)propyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(4-cyano-3-fluoro-phenoxy)propyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H28FN3O3 MolecularWeight: 377.453023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCCOC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C20H28FN3O3/c1-20(2,3)27-19(25)24-10-4-8-23(11-12-24)9-5-13-26-17-7-6-16(15-22)18(21)14-17/h6-7,14H,4-5,8-13H2,1-3H3