5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione

Systemtic Name: 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)isoindole-1,3-dione Openeye Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)isoindoline-1,3-dione CAS Name: 5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione Traditional Name: 5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-p-phenetyl-isoindoline-1,3-quinone Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C29H29N3O4/c1-4-36-23-11-9-22(10-12-23)32-28(34)24-13-8-21(18-25(24)29(32)35)27(33)31-16-14-30(15-17-31)26-7-5-6-19(2)20(26)3/h5-13,18H,4,14-17H2,1-3H3