1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanone Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C=CN3C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C)C

InChI

InChI=1S/C25H29N3O2/c1-18-7-6-10-23(19(18)2)26-13-15-27(16-14-26)25(30)17-24-22-9-5-4-8-21(22)11-12-28(24)20(3)29/h4-12,24H,13-17H2,1-3H3/t24-/m0/s1