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

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4/c1-16(27)17-6-8-19(9-7-17)24-10-12-25(13-11-24)22(29)15-26-21(28)14-18-4-2-3-5-20(18)23(26)30/h2-9H,10-15H2,1H3