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

Systemtic Name: (phenylmethyl) 4-(4-bromophenyl)-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-(4-bromophenyl)-3-oxo-piperazine-1-carboxylate CAS Name: 4-(4-bromophenyl)-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromophenyl)-3-oxopiperazine-1-carboxylate Traditional Name: 4-(4-bromophenyl)-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O3/c19-15-6-8-16(9-7-15)21-11-10-20(12-17(21)22)18(23)24-13-14-4-2-1-3-5-14/h1-9H,10-13H2