2-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-phenoxy-isoindole-1,3-dione

Systemtic Name: 2-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-phenoxy-isoindole-1,3-dione Openeye Name: 2-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-phenoxy-isoindoline-1,3-dione CAS Name: 2-[3-methoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]-5-phenoxyisoindole-1,3-dione IUPAC Name: 2-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-phenoxyisoindole-1,3-dione Traditional Name: 2-[3-methoxy-4-[3-(4-methylpiperazino)propoxy]phenyl]-5-phenoxy-isoindoline-1,3-quinone Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

CN1CCN(CC1)CCCOC2=C(C=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C29H31N3O5/c1-30-14-16-31(17-15-30)13-6-18-36-26-12-9-21(19-27(26)35-2)32-28(33)24-11-10-23(20-25(24)29(32)34)37-22-7-4-3-5-8-22/h3-5,7-12,19-20H,6,13-18H2,1-2H3