3-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione

Systemtic Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Openeye Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione CAS Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione IUPAC Name: 3-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione Traditional Name: 3-(4-hydroxybenzyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-quinone Formula: C15H16N4O3 MolecularWeight: 300.31254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CN=CN3)O

Isomeric SMILES

C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CN=CN3)O

InChI

InChI=1S/C15H16N4O3/c20-11-3-1-9(2-4-11)5-12-14(21)19-13(15(22)18-12)6-10-7-16-8-17-10/h1-4,7-8,12-13,20H,5-6H2,(H,16,17)(H,18,22)(H,19,21)