2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-(4-o-phenetylpiperazino)ethanone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H29N3O3/c1-3-31-24-11-7-6-10-22(24)26-14-16-27(17-15-26)25(30)18-23-21-9-5-4-8-20(21)12-13-28(23)19(2)29/h4-13,23H,3,14-18H2,1-2H3/t23-/m0/s1