2-(5-butyl-3-methyl-2-propyl-4H-pyrazol-3-yl)ethanenitrile

Systemtic Name: 2-(5-butyl-3-methyl-2-propyl-4H-pyrazol-3-yl)ethanenitrile Openeye Name: 2-(5-butyl-3-methyl-2-propyl-4H-pyrazol-3-yl)acetonitrile CAS Name: 2-(5-butyl-3-methyl-2-propyl-4H-pyrazol-3-yl)acetonitrile IUPAC Name: 2-(5-butyl-3-methyl-2-propyl-4H-pyrazol-3-yl)acetonitrile Traditional Name: 2-(5-butyl-3-methyl-2-propyl-2-pyrazolin-3-yl)acetonitrile Formula: C13H23N3 MolecularWeight: 221.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(C1)(C)CC#N)CCC

Isomeric SMILES

CCCCC1=NN(C(C1)(C)CC#N)CCC

InChI

InChI=1S/C13H23N3/c1-4-6-7-12-11-13(3,8-9-14)16(15-12)10-5-2/h4-8,10-11H2,1-3H3