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

Systemtic Name: 2-[2-[4-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Openeye Name: 2-[2-[4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione CAS Name: 2-[2-[4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]phenalene-1,3-dione IUPAC Name: 2-[2-[4-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Traditional Name: 2-[2-[4-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]ethyl]phenalene-1,3-quinone Formula: C32H38N2O4 MolecularWeight: 514.65512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O4/c1-32(2,3)23-10-12-25(13-11-23)38-21-24(35)20-34-18-16-33(17-19-34)15-14-28-30(36)26-8-4-6-22-7-5-9-27(29(22)26)31(28)37/h4-13,24,28,35H,14-21H2,1-3H3