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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5C

InChI

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