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

Systemtic Name: (3S,6S)-6-butyl-3-(phenylmethyl)-1-prop-2-ynyl-piperazine-2,5-dione Openeye Name: (3S,6S)-3-benzyl-6-butyl-1-prop-2-ynyl-piperazine-2,5-dione CAS Name: (3S,6S)-6-butyl-3-(phenylmethyl)-1-prop-2-ynylpiperazine-2,5-dione IUPAC Name: (3S,6S)-3-benzyl-6-butyl-1-prop-2-ynylpiperazine-2,5-dione Traditional Name: (3S,6S)-3-benzyl-6-butyl-1-propargyl-piperazine-2,5-quinone Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(C(=O)N1CC#C)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2/c1-3-5-11-16-17(21)19-15(18(22)20(16)12-4-2)13-14-9-7-6-8-10-14/h2,6-10,15-16H,3,5,11-13H2,1H3,(H,19,21)/t15-,16-/m0/s1