3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]propanenitrile

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]propanenitrile Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]propanenitrile CAS Name: 3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]propanenitrile IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]propanenitrile Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]propionitrile Formula: C15H18N4 MolecularWeight: 254.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4/c1-12-15(11-17-10-6-9-16)13(2)19(18-12)14-7-4-3-5-8-14/h3-5,7-8,17H,6,10-11H2,1-2H3