2-[2-[4-[(2S)-3-(3-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-[(2S)-3-(3-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

Isomeric SMILES

COC1=CC(=CC=C1)OC[C@H](CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O

InChI

InChI=1S/C28H31N3O5/c1-35-22-7-4-8-23(17-22)36-19-21(32)18-30-13-11-29(12-14-30)15-16-31-27(33)24-9-2-5-20-6-3-10-25(26(20)24)28(31)34/h2-10,17,21,32H,11-16,18-19H2,1H3/t21-/m0/s1