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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-19(28)27-12-11-21-9-5-6-10-22(21)23(27)17-24(29)26-15-13-25(14-16-26)18-20-7-3-2-4-8-20/h2-12,23H,13-18H2,1H3/t23-/m0/s1