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

Systemtic Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-phenyl-piperazine-2,5-dione Openeye Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-phenyl-piperazine-2,5-dione CAS Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-phenylpiperazine-2,5-dione IUPAC Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-phenylpiperazine-2,5-dione Traditional Name: (3S,6R)-3-(1H-imidazol-5-ylmethyl)-6-phenyl-piperazine-2,5-quinone Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)NC(C(=O)N2)CC3=CN=CN3

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C(=O)N[C@H](C(=O)N2)CC3=CN=CN3

InChI

InChI=1S/C14H14N4O2/c19-13-11(6-10-7-15-8-16-10)17-14(20)12(18-13)9-4-2-1-3-5-9/h1-5,7-8,11-12H,6H2,(H,15,16)(H,17,20)(H,18,19)/t11-,12+/m0/s1