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

Systemtic Name: 2-[2-[4-[2-oxidanyl-3-(4-propylphenoxy)propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Openeye Name: 2-[2-[4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione CAS Name: 2-[2-[4-[2-hydroxy-3-(4-propylphenoxy)propyl]-1-piperazinyl]ethyl]phenalene-1,3-dione IUPAC Name: 2-[2-[4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Traditional Name: 2-[2-[4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazino]ethyl]phenalene-1,3-quinone Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CCC3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(CN2CCN(CC2)CCC3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C31H36N2O4/c1-2-5-22-10-12-25(13-11-22)37-21-24(34)20-33-18-16-32(17-19-33)15-14-28-30(35)26-8-3-6-23-7-4-9-27(29(23)26)31(28)36/h3-4,6-13,24,28,34H,2,5,14-21H2,1H3