4-[[5-[3-(1-adamantyl)-3-oxidanyl-1-(3-oxidanylidenepiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[3-(1-adamantyl)-3-oxidanyl-1-(3-oxidanylidenepiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[3-(1-adamantyl)-3-hydroxy-1-(3-oxopiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[3-(1-adamantyl)-3-hydroxy-1-(3-oxo-1-piperazinyl)propyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[3-(1-adamantyl)-3-hydroxy-1-(3-oxopiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[3-(1-adamantyl)-3-hydroxy-1-(3-ketopiperazino)propyl]imidazol-1-yl]methyl]benzonitrile Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(CC(C23CC4CC(C2)CC(C4)C3)O)C5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C(CC(C23CC4CC(C2)CC(C4)C3)O)C5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C28H35N5O2/c29-14-19-1-3-20(4-2-19)16-33-18-30-15-25(33)24(32-6-5-31-27(35)17-32)10-26(34)28-11-21-7-22(12-28)9-23(8-21)13-28/h1-4,15,18,21-24,26,34H,5-13,16-17H2,(H,31,35)