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

Systemtic Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O4/c1-29-18-7-4-6-17(14-18)23-9-11-24(12-10-23)21(27)15-25-20(26)13-16-5-2-3-8-19(16)22(25)28/h2-8,14H,9-13,15H2,1H3