2-[2-[4-[3-(2-tert-butyl-4-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione

Systemtic Name: 2-[2-[4-[3-(2-tert-butyl-4-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Openeye Name: 2-[2-[4-[3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione CAS Name: 2-[2-[4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]phenalene-1,3-dione IUPAC Name: 2-[2-[4-[3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Traditional Name: 2-[2-[4-[3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]piperazino]ethyl]phenalene-1,3-quinone Formula: C33H40N2O4 MolecularWeight: 528.6817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CCC3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN2CCN(CC2)CCC3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O)C(C)(C)C

InChI

InChI=1S/C33H40N2O4/c1-22-11-12-29(28(19-22)33(2,3)4)39-21-24(36)20-35-17-15-34(16-18-35)14-13-27-31(37)25-9-5-7-23-8-6-10-26(30(23)25)32(27)38/h5-12,19,24,27,36H,13-18,20-21H2,1-4H3