tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H23ClN2O2/c1-16(2,3)21-15(20)19-10-6-9-18(11-12-19)14-8-5-4-7-13(14)17/h4-5,7-8H,6,9-12H2,1-3H3