4-[[5-[[4-(2-cyclohexyl-2-phenyl-ethanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(2-cyclohexyl-2-phenyl-ethanoyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2-cyclohexyl-2-phenyl-acetyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-(2-cyclohexyl-1-oxo-2-phenylethyl)-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2-cyclohexyl-2-phenylacetyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2-cyclohexyl-2-phenyl-acetyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C30H35N5O MolecularWeight: 481.6318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H35N5O/c31-19-24-11-13-25(14-12-24)21-35-23-32-20-28(35)22-33-15-17-34(18-16-33)30(36)29(26-7-3-1-4-8-26)27-9-5-2-6-10-27/h1,3-4,7-8,11-14,20,23,27,29H,2,5-6,9-10,15-18,21-22H2