4-[[4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperazino]methyl]benzonitrile Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O2/c1-19(30)29-11-10-22-4-2-3-5-23(22)24(29)16-25(31)28-14-12-27(13-15-28)18-21-8-6-20(17-26)7-9-21/h2-11,24H,12-16,18H2,1H3