2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]ethanone Formula: C24H25N5O3S MolecularWeight: 463.552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)CC4=NC(=NO4)C5=CSC=C5

InChI

InChI=1S/C24H25N5O3S/c1-17(30)29-8-6-18-4-2-3-5-20(18)21(29)14-23(31)28-11-9-27(10-12-28)15-22-25-24(26-32-22)19-7-13-33-16-19/h2-8,13,16,21H,9-12,14-15H2,1H3