3-azanyl-1-(2-oxidanylnonan-3-yl)pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-(2-oxidanylnonan-3-yl)pyrazole-4-carbonitrile Openeye Name: 3-amino-1-[1-(1-hydroxyethyl)heptyl]pyrazole-4-carbonitrile CAS Name: 3-amino-1-(2-hydroxynonan-3-yl)-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-(2-hydroxynonan-3-yl)pyrazole-4-carbonitrile Traditional Name: 3-amino-1-[1-(1-hydroxyethyl)heptyl]pyrazole-4-carbonitrile Formula: C13H22N4O MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)O)N1C=C(C(=N1)N)C#N

Isomeric SMILES

CCCCCCC(C(C)O)N1C=C(C(=N1)N)C#N

InChI

InChI=1S/C13H22N4O/c1-3-4-5-6-7-12(10(2)18)17-9-11(8-14)13(15)16-17/h9-10,12,18H,3-7H2,1-2H3,(H2,15,16)