tert-butyl N-[2-[(4-bromophenyl)-(1H-imidazol-5-ylmethyl)amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(4-bromophenyl)-(1H-imidazol-5-ylmethyl)amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]carbamate CAS Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]carbamate Traditional Name: N-[2-[4-bromo-N-(1H-imidazol-5-ylmethyl)anilino]ethyl]carbamic acid tert-butyl ester Formula: C17H23BrN4O2 MolecularWeight: 395.29412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(CC1=CN=CN1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(CC1=CN=CN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H23BrN4O2/c1-17(2,3)24-16(23)20-8-9-22(11-14-10-19-12-21-14)15-6-4-13(18)5-7-15/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,21)(H,20,23)