2-[[4-(chloromethyl)-5-methyl-2-phenyl-pyrazol-3-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[4-(chloromethyl)-5-methyl-2-phenyl-pyrazol-3-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[4-(chloromethyl)-5-methyl-2-phenyl-pyrazol-3-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[4-(chloromethyl)-5-methyl-2-phenyl-3-pyrazolyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[4-(chloromethyl)-5-methyl-2-phenylpyrazol-3-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[4-(chloromethyl)-5-methyl-2-phenyl-pyrazol-3-yl]-(cyanomethyl)amino]acetonitrile Formula: C15H14ClN5 MolecularWeight: 299.75816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CCl)N(CC#N)CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1CCl)N(CC#N)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H14ClN5/c1-12-14(11-16)15(20(9-7-17)10-8-18)21(19-12)13-5-3-2-4-6-13/h2-6H,9-11H2,1H3