2-[2-[4-[3-(4-tert-butylcyclohexyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-[3-(4-tert-butylcyclohexyl)oxy-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-[3-(4-tert-butylcyclohexoxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-[3-(4-tert-butylcyclohexyl)oxy-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-[3-(4-tert-butylcyclohexoxy)-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C31H43N3O4 MolecularWeight: 521.69082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C31H43N3O4/c1-31(2,3)23-10-12-25(13-11-23)38-21-24(35)20-33-16-14-32(15-17-33)18-19-34-29(36)26-8-4-6-22-7-5-9-27(28(22)26)30(34)37/h4-9,23-25,35H,10-21H2,1-3H3