1-[(E)-4-bromanylbut-2-enyl]-4-methyl-3,6-bis(phenylmethyl)piperazine-2,5-dione

Systemtic Name: 1-[(E)-4-bromanylbut-2-enyl]-4-methyl-3,6-bis(phenylmethyl)piperazine-2,5-dione Openeye Name: 3,6-dibenzyl-1-[(E)-4-bromobut-2-enyl]-4-methyl-piperazine-2,5-dione CAS Name: 1-[(E)-4-bromobut-2-enyl]-4-methyl-3,6-bis(phenylmethyl)piperazine-2,5-dione IUPAC Name: 3,6-dibenzyl-1-[(E)-4-bromobut-2-enyl]-4-methylpiperazine-2,5-dione Traditional Name: 3,6-dibenzyl-1-[(E)-4-bromobut-2-enyl]-4-methyl-piperazine-2,5-quinone Formula: C23H25BrN2O2 MolecularWeight: 441.3608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(C(C1=O)CC2=CC=CC=C2)CC=CCBr)CC3=CC=CC=C3

Isomeric SMILES

CN1C(C(=O)N(C(C1=O)CC2=CC=CC=C2)C/C=C/CBr)CC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN2O2/c1-25-20(16-18-10-4-2-5-11-18)23(28)26(15-9-8-14-24)21(22(25)27)17-19-12-6-3-7-13-19/h2-13,20-21H,14-17H2,1H3/b9-8+