(3S,6S)-3-butyl-1,6-bis(phenylmethyl)-4-prop-2-ynyl-piperazine-2,5-dione

Systemtic Name: (3S,6S)-3-butyl-1,6-bis(phenylmethyl)-4-prop-2-ynyl-piperazine-2,5-dione Openeye Name: (3S,6S)-1,6-dibenzyl-3-butyl-4-prop-2-ynyl-piperazine-2,5-dione CAS Name: (3S,6S)-3-butyl-1,6-bis(phenylmethyl)-4-prop-2-ynylpiperazine-2,5-dione IUPAC Name: (3S,6S)-1,6-dibenzyl-3-butyl-4-prop-2-ynylpiperazine-2,5-dione Traditional Name: (3S,6S)-1,6-dibenzyl-3-butyl-4-propargyl-piperazine-2,5-quinone Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(C(=O)N1CC#C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]1C(=O)N([C@H](C(=O)N1CC#C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2/c1-3-5-16-22-24(28)27(19-21-14-10-7-11-15-21)23(25(29)26(22)17-4-2)18-20-12-8-6-9-13-20/h2,6-15,22-23H,3,5,16-19H2,1H3/t22-,23-/m0/s1