(3S,6E)-3-(2-methylpropyl)-6-(phenylmethylidene)piperazine-2,5-dione

Systemtic Name: (3S,6E)-3-(2-methylpropyl)-6-(phenylmethylidene)piperazine-2,5-dione Openeye Name: (3E,6S)-3-benzylidene-6-isobutyl-piperazine-2,5-dione CAS Name: (3S,6E)-3-(2-methylpropyl)-6-(phenylmethylene)piperazine-2,5-dione IUPAC Name: (3E,6S)-3-benzylidene-6-(2-methylpropyl)piperazine-2,5-dione Traditional Name: (3E,6S)-3-benzal-6-isobutyl-piperazine-2,5-quinone Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(=CC2=CC=CC=C2)C(=O)N1

Isomeric SMILES

CC(C)C[C@H]1C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)N1

InChI

InChI=1S/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9+/t12-/m0/s1