2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-phenyl-butyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-phenyl-butyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[4-(4-methylpiperazin-1-yl)-4-oxo-1-phenyl-butyl]-1,4-benzoquinone CAS Name: 2-[4-(4-methyl-1-piperazinyl)-4-oxo-1-phenylbutyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)-4-oxo-1-phenylbutyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[4-keto-4-(4-methylpiperazino)-1-phenyl-butyl]-p-benzoquinone Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=CC(=O)C=CC3=O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC(C2=CC=CC=C2)C3=CC(=O)C=CC3=O

InChI

InChI=1S/C21H24N2O3/c1-22-11-13-23(14-12-22)21(26)10-8-18(16-5-3-2-4-6-16)19-15-17(24)7-9-20(19)25/h2-7,9,15,18H,8,10-14H2,1H3