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

Systemtic Name: 3-[[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]-phenyl-amino]propanenitrile Openeye Name: 3-(N-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]anilino)propanenitrile CAS Name: 3-(N-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolyl]anilino)propanenitrile IUPAC Name: 3-(N-[4-(chloromethyl)-2,5-dimethylpyrazol-3-yl]anilino)propanenitrile Traditional Name: 3-(N-[4-(chloromethyl)-2,5-dimethyl-pyrazol-3-yl]anilino)propionitrile Formula: C15H17ClN4 MolecularWeight: 288.77528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4/c1-12-14(11-16)15(19(2)18-12)20(10-6-9-17)13-7-4-3-5-8-13/h3-5,7-8H,6,10-11H2,1-2H3