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

Systemtic Name: (3S,6S)-6-[(4-bromophenyl)methyl]-3-(phenylmethoxymethyl)-1-prop-2-enyl-4-prop-2-ynyl-piperazine-2,5-dione Openeye Name: (3S,6S)-1-allyl-3-(benzyloxymethyl)-6-[(4-bromophenyl)methyl]-4-prop-2-ynyl-piperazine-2,5-dione CAS Name: (3S,6S)-6-[(4-bromophenyl)methyl]-3-(phenylmethoxymethyl)-1-prop-2-enyl-4-prop-2-ynylpiperazine-2,5-dione IUPAC Name: (3S,6S)-6-[(4-bromophenyl)methyl]-3-(phenylmethoxymethyl)-1-prop-2-enyl-4-prop-2-ynylpiperazine-2,5-dione Traditional Name: (3S,6S)-1-allyl-3-(benzoxymethyl)-6-(4-bromobenzyl)-4-propargyl-piperazine-2,5-quinone Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(C(=O)N(C(C1=O)COCC2=CC=CC=C2)CC#C)CC3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1[C@H](C(=O)N([C@H](C1=O)COCC2=CC=CC=C2)CC#C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H25BrN2O3/c1-3-14-27-22(16-19-10-12-21(26)13-11-19)24(29)28(15-4-2)23(25(27)30)18-31-17-20-8-6-5-7-9-20/h2-3,5-13,22-23H,1,14-18H2/t22-,23-/m0/s1