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

Systemtic Name: 2-butyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C26H31N3O5/c1-4-5-10-29-25(31)21-8-6-18(16-22(21)26(29)32)24(30)28-13-11-27(12-14-28)17-19-15-20(33-2)7-9-23(19)34-3/h6-9,15-16H,4-5,10-14,17H2,1-3H3