(3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione

Systemtic Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione Openeye Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(1-methyl-1-phenyl-ethyl)piperazine-2,5-dione CAS Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione IUPAC Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-(2-phenylpropan-2-yl)piperazine-2,5-dione Traditional Name: (3R,6S)-3-cumyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(=O)NC(C(=O)N1)CC2=CN=CN2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2/c1-17(2,11-6-4-3-5-7-11)14-16(23)20-13(15(22)21-14)8-12-9-18-10-19-12/h3-7,9-10,13-14H,8H2,1-2H3,(H,18,19)(H,20,23)(H,21,22)/t13-,14-/m0/s1