tert-butyl 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: tert-butyl 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: tert-butyl 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(4-fluorophenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid tert-butyl ester Formula: C17H22FNO2 MolecularWeight: 291.360483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC=C1C2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FNO2/c1-17(2,3)21-16(20)19-12-6-4-5-7-15(19)13-8-10-14(18)11-9-13/h7-11H,4-6,12H2,1-3H3