4-[1H-imidazol-2-yl-(2-oxidanyl-1-adamantyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[1H-imidazol-2-yl-(2-oxidanyl-1-adamantyl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-hydroxy-1-adamantyl)-(1H-imidazol-2-yl)methyl]benzonitrile CAS Name: 4-[(2-hydroxy-1-adamantyl)-(1H-imidazol-2-yl)methyl]benzonitrile IUPAC Name: 4-[(2-hydroxy-1-adamantyl)-(1H-imidazol-2-yl)methyl]benzonitrile Traditional Name: 4-[(2-hydroxy-1-adamantyl)-(1H-imidazol-2-yl)methyl]benzonitrile Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3O)C(C4=CC=C(C=C4)C#N)C5=NC=CN5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3O)C(C4=CC=C(C=C4)C#N)C5=NC=CN5

InChI

InChI=1S/C21H23N3O/c22-12-13-1-3-16(4-2-13)18(20-23-5-6-24-20)21-10-14-7-15(11-21)9-17(8-14)19(21)25/h1-6,14-15,17-19,25H,7-11H2,(H,23,24)