2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20ClN3O3/c22-16-5-3-6-17(13-16)23-8-10-24(11-9-23)20(27)14-25-19(26)12-15-4-1-2-7-18(15)21(25)28/h1-7,13H,8-12,14H2