3-azanyl-1-(2-oxidanyloctyl)pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-(2-oxidanyloctyl)pyrazole-4-carbonitrile Openeye Name: 3-amino-1-(2-hydroxyoctyl)pyrazole-4-carbonitrile CAS Name: 3-amino-1-(2-hydroxyoctyl)-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-(2-hydroxyoctyl)pyrazole-4-carbonitrile Traditional Name: 3-amino-1-(2-hydroxyoctyl)pyrazole-4-carbonitrile Formula: C12H20N4O MolecularWeight: 236.3134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CN1C=C(C(=N1)N)C#N)O

Isomeric SMILES

CCCCCCC(CN1C=C(C(=N1)N)C#N)O

InChI

InChI=1S/C12H20N4O/c1-2-3-4-5-6-11(17)9-16-8-10(7-13)12(14)15-16/h8,11,17H,2-6,9H2,1H3,(H2,14,15)