2-[[3-methyl-4-oxidanyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-methyl-4-oxidanyl-5-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-hydroxy-3-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-hydroxy-3-methyl-5-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-hydroxy-3-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-hydroxy-3-methyl-5-[4-(2-phenoxyethyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CCOC5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)CCOC5=CC=CC=C5)O

InChI

InChI=1S/C29H29N3O5/c1-20-17-21(19-32-28(35)23-9-5-6-10-24(23)29(32)36)18-25(26(20)33)27(34)31-13-11-30(12-14-31)15-16-37-22-7-3-2-4-8-22/h2-10,17-18,33H,11-16,19H2,1H3