2-[4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methoxyphenyl)-4-piperazin-1-yl-but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-methoxyphenyl)-4-(1-piperazinyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methoxyphenyl)-4-piperazin-1-ylbut-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-methoxyphenyl)-4-piperazino-but-2-ynyl]isoindoline-1,3-quinone Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#CCN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

Isomeric SMILES

COC1=CC=CC=C1C(C#CCN2C(=O)C3=CC=CC=C3C2=O)N4CCNCC4

InChI

InChI=1S/C23H23N3O3/c1-29-21-11-5-4-9-19(21)20(25-15-12-24-13-16-25)10-6-14-26-22(27)17-7-2-3-8-18(17)23(26)28/h2-5,7-9,11,20,24H,12-16H2,1H3