3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl-(3-pyridylmethyl)amino]propionitrile Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN(CCC#N)CC2=CN=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN(CCC#N)CC2=CN=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O2/c1-12-15(21(22)23)13(2)20(18-12)11-19(8-4-6-16)10-14-5-3-7-17-9-14/h3,5,7,9H,4,8,10-11H2,1-2H3