(3S,6S)-3-[(4-bromophenyl)methyl]-6-(phenylmethoxymethyl)-1-prop-2-ynyl-piperazine-2,5-dione

Systemtic Name: (3S,6S)-3-[(4-bromophenyl)methyl]-6-(phenylmethoxymethyl)-1-prop-2-ynyl-piperazine-2,5-dione Openeye Name: (3S,6S)-6-(benzyloxymethyl)-3-[(4-bromophenyl)methyl]-1-prop-2-ynyl-piperazine-2,5-dione CAS Name: (3S,6S)-3-[(4-bromophenyl)methyl]-6-(phenylmethoxymethyl)-1-prop-2-ynylpiperazine-2,5-dione IUPAC Name: (3S,6S)-3-[(4-bromophenyl)methyl]-6-(phenylmethoxymethyl)-1-prop-2-ynylpiperazine-2,5-dione Traditional Name: (3S,6S)-6-(benzoxymethyl)-3-(4-bromobenzyl)-1-propargyl-piperazine-2,5-quinone Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(C(=O)NC(C1=O)CC2=CC=C(C=C2)Br)COCC3=CC=CC=C3

Isomeric SMILES

C#CCN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=C(C=C2)Br)COCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrN2O3/c1-2-12-25-20(15-28-14-17-6-4-3-5-7-17)21(26)24-19(22(25)27)13-16-8-10-18(23)11-9-16/h1,3-11,19-20H,12-15H2,(H,24,26)/t19-,20-/m0/s1