(phenylmethyl) 2-azanyl-4-(4-bromophenyl)-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-4-(4-bromophenyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 2-amino-4-(4-bromophenyl)-3-oxo-piperazine-1-carboxylate CAS Name: 2-amino-4-(4-bromophenyl)-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-4-(4-bromophenyl)-3-oxopiperazine-1-carboxylate Traditional Name: 2-amino-4-(4-bromophenyl)-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)C(N1C(=O)OCC2=CC=CC=C2)N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3/c19-14-6-8-15(9-7-14)21-10-11-22(16(20)17(21)23)18(24)25-12-13-4-2-1-3-5-13/h1-9,16H,10-12,20H2