4-[[2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzonitrile CAS Name: 4-[[2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzonitrile IUPAC Name: 4-[[2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzonitrile Traditional Name: 4-[[2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]benzonitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)(CN2C=NC=N2)O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(C(C1)(CN2C=NC=N2)O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H18N4O/c17-9-14-5-3-13(4-6-14)8-15-2-1-7-16(15,21)10-20-12-18-11-19-20/h3-6,11-12,15,21H,1-2,7-8,10H2