4-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(adamantane-1-carbonyl)piperazino]methyl]benzonitrile Formula: C23H29N3O MolecularWeight: 363.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O/c24-15-17-1-3-18(4-2-17)16-25-5-7-26(8-6-25)22(27)23-12-19-9-20(13-23)11-21(10-19)14-23/h1-4,19-21H,5-14,16H2