4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(2-allyloxyphenyl)methyl]piperazin-1-yl]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(2-prop-2-enoxyphenyl)methyl]-1-piperazinyl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-allyloxybenzyl)piperazino]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5OCC=C

Isomeric SMILES

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5OCC=C

InChI

InChI=1S/C28H29N3O3S/c1-3-17-34-24-11-5-4-8-21(24)19-29-13-15-30(16-14-29)23-10-6-9-22-26(23)28(33)31(27(22)32)20(2)25-12-7-18-35-25/h3-12,18,20H,1,13-17,19H2,2H3