(3E,6S)-3-[(3-methylphenyl)methylidene]-6-(2-methylpropyl)piperazine-2,5-dione

Systemtic Name: (3E,6S)-3-[(3-methylphenyl)methylidene]-6-(2-methylpropyl)piperazine-2,5-dione Openeye Name: (3S,6E)-3-isobutyl-6-(m-tolylmethylene)piperazine-2,5-dione CAS Name: (3E,6S)-3-[(3-methylphenyl)methylidene]-6-(2-methylpropyl)piperazine-2,5-dione IUPAC Name: (3E,6S)-3-[(3-methylphenyl)methylidene]-6-(2-methylpropyl)piperazine-2,5-dione Traditional Name: (3S,6E)-3-isobutyl-6-(3-methylbenzylidene)piperazine-2,5-quinone Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)NC(C(=O)N2)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/2\C(=O)N[C@H](C(=O)N2)CC(C)C

InChI

InChI=1S/C16H20N2O2/c1-10(2)7-13-15(19)18-14(16(20)17-13)9-12-6-4-5-11(3)8-12/h4-6,8-10,13H,7H2,1-3H3,(H,17,20)(H,18,19)/b14-9+/t13-/m0/s1