2,3,5-trimethyl-6-[7-oxidanylidene-7-(4-phenethylpiperazin-1-yl)-1-phenyl-heptyl]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,3,5-trimethyl-6-[7-oxidanylidene-7-(4-phenethylpiperazin-1-yl)-1-phenyl-heptyl]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,3,5-trimethyl-6-[7-oxo-7-(4-phenethylpiperazin-1-yl)-1-phenyl-heptyl]-1,4-benzoquinone CAS Name: 2,3,5-trimethyl-6-[7-oxo-7-(4-phenethyl-1-piperazinyl)-1-phenylheptyl]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,3,5-trimethyl-6-[7-oxo-7-(4-phenethylpiperazin-1-yl)-1-phenylheptyl]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[7-keto-7-(4-phenethylpiperazino)-1-phenyl-heptyl]-3,5,6-trimethyl-p-benzoquinone Formula: C34H42N2O3 MolecularWeight: 526.70888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C34H42N2O3/c1-25-26(2)34(39)32(27(3)33(25)38)30(29-15-9-5-10-16-29)17-11-6-12-18-31(37)36-23-21-35(22-24-36)20-19-28-13-7-4-8-14-28/h4-5,7-10,13-16,30H,6,11-12,17-24H2,1-3H3