3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-(3-pyridylmethyl)amino]propionitrile Formula: C15H18ClN5 MolecularWeight: 303.78992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N(CCC#N)CC2=CN=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1CCl)N(CCC#N)CC2=CN=CC=C2)C

InChI

InChI=1S/C15H18ClN5/c1-12-14(9-16)15(20(2)19-12)21(8-4-6-17)11-13-5-3-7-18-10-13/h3,5,7,10H,4,8-9,11H2,1-2H3