2-[[2-(phenyl-piperazin-1-yl-propan-2-yloxy-methyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-(phenyl-piperazin-1-yl-propan-2-yloxy-methyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-(isopropoxy-phenyl-piperazin-1-yl-methyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-[phenyl-(1-piperazinyl)-propan-2-yloxymethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-(phenyl-piperazin-1-yl-propan-2-yloxymethyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[2-(isopropoxy-phenyl-piperazino-methyl)benzyl]isoindoline-1,3-quinone Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=CC=C1)(C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4C3=O)N5CCNCC5

Isomeric SMILES

CC(C)OC(C1=CC=CC=C1)(C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4C3=O)N5CCNCC5

InChI

InChI=1S/C29H31N3O3/c1-21(2)35-29(23-11-4-3-5-12-23,31-18-16-30-17-19-31)26-15-9-6-10-22(26)20-32-27(33)24-13-7-8-14-25(24)28(32)34/h3-15,21,30H,16-20H2,1-2H3