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

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(o-tolyl)piperazino]ethanone Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C24H27N3O2/c1-18-7-3-6-10-22(18)25-13-15-26(16-14-25)24(29)17-23-21-9-5-4-8-20(21)11-12-27(23)19(2)28/h3-12,23H,13-17H2,1-2H3/t23-/m0/s1