2-[2-[4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione

Systemtic Name: 2-[2-[4-[3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Openeye Name: 2-[2-[4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]phenalene-1,3-dione CAS Name: 2-[2-[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]phenalene-1,3-dione IUPAC Name: 2-[2-[4-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]phenalene-1,3-dione Traditional Name: 2-[2-[4-[3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]piperazino]ethyl]phenalene-1,3-quinone Formula: C30H34N2O4 MolecularWeight: 486.60196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O4/c1-20-15-21(2)17-24(16-20)36-19-23(33)18-32-13-11-31(12-14-32)10-9-27-29(34)25-7-3-5-22-6-4-8-26(28(22)25)30(27)35/h3-8,15-17,23,27,33H,9-14,18-19H2,1-2H3