4-[[4-[2-(3-bromanyl-1-adamantyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-bromanyl-1-adamantyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-bromo-1-adamantyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3-bromo-1-adamantyl)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-bromo-1-adamantyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-bromo-1-adamantyl)acetyl]piperazino]methyl]benzonitrile Formula: C24H30BrN3O MolecularWeight: 456.4185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O/c25-24-12-20-9-21(13-24)11-23(10-20,17-24)14-22(29)28-7-5-27(6-8-28)16-19-3-1-18(15-26)2-4-19/h1-4,20-21H,5-14,16-17H2