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

Systemtic Name: 4-[(1-oxidanylcycloheptyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(1-hydroxycycloheptyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 4-[(1-hydroxycycloheptyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 4-[(1-hydroxycycloheptyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[(1-hydroxycycloheptyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O

Isomeric SMILES

C1CCCC(CC1)(C(C2=CC=C(C=C2)C#N)N3C=NC=N3)O

InChI

InChI=1S/C17H20N4O/c18-11-14-5-7-15(8-6-14)16(21-13-19-12-20-21)17(22)9-3-1-2-4-10-17/h5-8,12-13,16,22H,1-4,9-10H2