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

Systemtic Name: 2-tert-butyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-tert-butyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,4-benzoquinone CAS Name: 2-tert-butyl-5-[4-(2-methoxyphenyl)-1-piperazinyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-tert-butyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-tert-butyl-5-[4-(2-methoxyphenyl)piperazino]-p-benzoquinone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)C(=CC1=O)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC(=O)C(=CC1=O)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H26N2O3/c1-21(2,3)15-13-19(25)17(14-18(15)24)23-11-9-22(10-12-23)16-7-5-6-8-20(16)26-4/h5-8,13-14H,9-12H2,1-4H3