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

Systemtic Name: 4-[[5-[3-(1-adamantyl)-1-(3-oxidanylidenepiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[3-(1-adamantyl)-1-(3-oxopiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[3-(1-adamantyl)-1-(3-oxo-1-piperazinyl)propyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[3-(1-adamantyl)-1-(3-oxopiperazin-1-yl)propyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[3-(1-adamantyl)-1-(3-ketopiperazino)propyl]imidazol-1-yl]methyl]benzonitrile Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(CCC23CC4CC(C2)CC(C4)C3)C5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C(CCC23CC4CC(C2)CC(C4)C3)C5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C28H35N5O/c29-15-20-1-3-21(4-2-20)17-33-19-30-16-26(33)25(32-8-7-31-27(34)18-32)5-6-28-12-22-9-23(13-28)11-24(10-22)14-28/h1-4,16,19,22-25H,5-14,17-18H2,(H,31,34)