tert-butyl 4-cyano-4-(3-fluorophenyl)azepane-1-carboxylate

Systemtic Name: tert-butyl 4-cyano-4-(3-fluorophenyl)azepane-1-carboxylate Openeye Name: tert-butyl 4-cyano-4-(3-fluorophenyl)azepane-1-carboxylate CAS Name: 4-cyano-4-(3-fluorophenyl)-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyano-4-(3-fluorophenyl)azepane-1-carboxylate Traditional Name: 4-cyano-4-(3-fluorophenyl)azepane-1-carboxylic acid tert-butyl ester Formula: C18H23FN2O2 MolecularWeight: 318.385823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(CC1)(C#N)C2=CC(=CC=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(CC1)(C#N)C2=CC(=CC=C2)F

InChI

InChI=1S/C18H23FN2O2/c1-17(2,3)23-16(22)21-10-5-8-18(13-20,9-11-21)14-6-4-7-15(19)12-14/h4,6-7,12H,5,8-11H2,1-3H3