4-[(2-oxidanyl-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2-oxidanyl-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-hydroxy-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(2-hydroxy-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(2-hydroxy-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(2-hydroxy-2-adamantyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C(C4=CC=C(C=C4)C#N)N5C=NC=N5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C(C4=CC=C(C=C4)C#N)N5C=NC=N5)O

InChI

InChI=1S/C20H22N4O/c21-10-13-1-3-16(4-2-13)19(24-12-22-11-23-24)20(25)17-6-14-5-15(8-17)9-18(20)7-14/h1-4,11-12,14-15,17-19,25H,5-9H2