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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)NC(C1=O)CC2=CC=CC=C2)CC3=CN=CN3

Isomeric SMILES

CN1[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC3=CN=CN3

InChI

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