4-[[5-[2-(1-adamantyl)-1-(3-oxidanylidenepiperazin-1-yl)ethyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[2-(1-adamantyl)-1-(3-oxidanylidenepiperazin-1-yl)ethyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[2-(1-adamantyl)-1-(3-oxopiperazin-1-yl)ethyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[2-(1-adamantyl)-1-(3-oxo-1-piperazinyl)ethyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[2-(1-adamantyl)-1-(3-oxopiperazin-1-yl)ethyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[2-(1-adamantyl)-1-(3-ketopiperazino)ethyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(CC23CC4CC(C2)CC(C4)C3)C5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C(CC23CC4CC(C2)CC(C4)C3)C5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

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