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

Systemtic Name: 4-[[5-[[4-(1-adamantylmethyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(1-adamantylmethyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(1-adamantylmethyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(1-adamantylmethyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(1-adamantylmethyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H35N5 MolecularWeight: 429.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N5/c28-15-21-1-3-22(4-2-21)17-32-20-29-16-26(32)18-30-5-7-31(8-6-30)19-27-12-23-9-24(13-27)11-25(10-23)14-27/h1-4,16,20,23-25H,5-14,17-19H2