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

Systemtic Name: 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-[4-(2-chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(2-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=C2Cl)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

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