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

Systemtic Name: 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3/c1-16-6-2-5-9-19(16)23-10-12-24(13-11-23)21(27)15-25-20(26)14-17-7-3-4-8-18(17)22(25)28/h2-9H,10-15H2,1H3