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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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