tert-butyl 4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-fluorobenzyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H25FN2O2 MolecularWeight: 308.391003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-4-9-19(11-12-20)13-14-5-7-15(18)8-6-14/h5-8H,4,9-13H2,1-3H3