2-tert-butyl-5-[4-(phenylmethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-tert-butyl-5-[4-(phenylmethyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-tert-butyl-1,4-benzoquinone CAS Name: 2-tert-butyl-5-[4-(phenylmethyl)-1-piperazinyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-(4-benzylpiperazino)-5-tert-butyl-p-benzoquinone Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)C(=CC1=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)C(=CC1=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-21(2,3)17-13-20(25)18(14-19(17)24)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3