[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29N3O5/c1-19(30)29-12-11-20-5-3-4-6-23(20)24(29)17-26(32)34-18-25(31)28-15-13-27(14-16-28)21-7-9-22(33-2)10-8-21/h3-12,24H,13-18H2,1-2H3