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

Systemtic Name: 5-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-[4-(3-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=C4)Cl

Isomeric SMILES

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

InChI

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