tert-butyl 4-phenethyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-phenethyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-phenethyl-1,4-diazepane-1-carboxylate CAS Name: 4-phenethyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-phenethyl-1,4-diazepane-1-carboxylate Traditional Name: 4-phenethyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-7-11-19(14-15-20)13-10-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3