4-[[5-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(1-adamantylcarbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(adamantane-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(adamantane-1-carbonyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H33N5O/c28-15-20-1-3-21(4-2-20)17-32-19-29-16-25(32)18-30-5-7-31(8-6-30)26(33)27-12-22-9-23(13-27)11-24(10-22)14-27/h1-4,16,19,22-24H,5-14,17-18H2