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

Systemtic Name: 2-[[4-ethoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C29H29N3O5 MolecularWeight: 499.55766

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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)C5=CC=CC=C5OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H29N3O5/c1-3-37-25-13-12-20(19-32-28(34)21-8-4-5-9-22(21)29(32)35)18-23(25)27(33)31-16-14-30(15-17-31)24-10-6-7-11-26(24)36-2/h4-13,18H,3,14-17,19H2,1-2H3