(phenylmethyl) 4-[(4-bromophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-bromophenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: benzyl 4-[(4-bromophenyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(4-bromophenyl)methyl]-3-oxo-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-bromophenyl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-(4-bromobenzyl)-3-keto-piperazine-1-carboxylic acid benzyl ester Formula: C19H19BrN2O3 MolecularWeight: 403.26976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN2O3/c20-17-8-6-15(7-9-17)12-21-10-11-22(13-18(21)23)19(24)25-14-16-4-2-1-3-5-16/h1-9H,10-14H2