(3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(phenylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)-3-methyl-piperazine-2,5-dione CAS Name: (3S,6S)-6-(1H-imidazol-5-ylmethyl)-3-methyl-3-(phenylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)-3-methylpiperazine-2,5-dione Traditional Name: (3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)-3-methyl-piperazine-2,5-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(C(=O)N1)CC2=CN=CN2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@]1(C(=O)N[C@H](C(=O)N1)CC2=CN=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-16(8-11-5-3-2-4-6-11)15(22)19-13(14(21)20-16)7-12-9-17-10-18-12/h2-6,9-10,13H,7-8H2,1H3,(H,17,18)(H,19,22)(H,20,21)/t13-,16-/m0/s1