2-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-4-methoxy-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-4-methoxy-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-4-methoxy-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-4-methoxyphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-4-methoxy-benzyl]isoindoline-1,3-quinone Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O)OC)C

InChI

InChI=1S/C29H29N3O4/c1-19-7-6-10-25(20(19)2)30-13-15-31(16-14-30)27(33)24-17-21(11-12-26(24)36-3)18-32-28(34)22-8-4-5-9-23(22)29(32)35/h4-12,17H,13-16,18H2,1-3H3