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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22ClN3O3/c23-17-5-3-6-18(15-17)24-10-12-25(13-11-24)20(27)8-9-26-21(28)14-16-4-1-2-7-19(16)22(26)29/h1-7,15H,8-14H2