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

Systemtic Name: 2-[[4-ethoxy-3-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-(4-isobutyrylpiperazine-1-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C(=O)C(C)C

InChI

InChI=1S/C26H29N3O5/c1-4-34-22-10-9-18(16-29-25(32)19-7-5-6-8-20(19)26(29)33)15-21(22)24(31)28-13-11-27(12-14-28)23(30)17(2)3/h5-10,15,17H,4,11-14,16H2,1-3H3