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

Systemtic Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H23N3O5/c1-30-20-9-5-4-8-19(20)25-10-12-26(13-11-25)21(27)15-31-23(29)18-14-16-6-2-3-7-17(16)22(28)24-18/h2-9,14H,10-13,15H2,1H3,(H,24,28)