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

Systemtic Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C23H25N3O3/c1-16-6-5-9-20(17(16)2)24-10-12-25(13-11-24)22(28)15-26-21(27)14-18-7-3-4-8-19(18)23(26)29/h3-9H,10-15H2,1-2H3