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

Systemtic Name: 4-[[4-[2-(1-adamantyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(1-adamantyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1-adamantyl)acetyl]piperazino]methyl]benzonitrile Formula: C24H31N3O MolecularWeight: 377.52244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O/c25-16-18-1-3-19(4-2-18)17-26-5-7-27(8-6-26)23(28)15-24-12-20-9-21(13-24)11-22(10-20)14-24/h1-4,20-22H,5-15,17H2