tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-aminophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-aminophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-aminophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C16H25N3O2 MolecularWeight: 291.3886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-9-18(11-12-19)14-7-5-13(17)6-8-14/h5-8H,4,9-12,17H2,1-3H3