5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(2-chlorophenyl)piperazin-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(2-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(2-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN3O3/c1-2-9-26-21(28)16-8-7-15(14-17(16)22(26)29)20(27)25-12-10-24(11-13-25)19-6-4-3-5-18(19)23/h2-8,14H,1,9-13H2