(3S,6S)-3-(anthracen-9-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-3-(anthracen-9-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-3-(9-anthrylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-3-(9-anthracenylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-3-(anthracen-9-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-3-(9-anthrylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC4C(=O)NC(C(=O)N4)CC5=CN=CN5

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C[C@H]4C(=O)N[C@H](C(=O)N4)CC5=CN=CN5

InChI

InChI=1S/C23H20N4O2/c28-22-20(10-16-12-24-13-25-16)26-23(29)21(27-22)11-19-17-7-3-1-5-14(17)9-15-6-2-4-8-18(15)19/h1-9,12-13,20-21H,10-11H2,(H,24,25)(H,26,29)(H,27,28)/t20-,21-/m0/s1