3-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzonitrile CAS Name: 3-[4-(aminomethyl)-3,5-dimethyl-1-pyrazolyl]benzonitrile IUPAC Name: 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzonitrile Traditional Name: 3-[4-(aminomethyl)-3,5-dimethyl-pyrazol-1-yl]benzonitrile Formula: C13H14N4 MolecularWeight: 226.27706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC(=C2)C#N)C)CN

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC(=C2)C#N)C)CN

InChI

InChI=1S/C13H14N4/c1-9-13(8-15)10(2)17(16-9)12-5-3-4-11(6-12)7-14/h3-6H,8,15H2,1-2H3