tert-butyl 2-phenyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 2-phenyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 2-phenyl-1,4-diazepane-1-carboxylate CAS Name: 2-phenyl-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-phenyl-1,4-diazepane-1-carboxylate Traditional Name: 2-phenyl-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNCC1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCNCC1C2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-7-10-17-12-14(18)13-8-5-4-6-9-13/h4-6,8-9,14,17H,7,10-12H2,1-3H3