3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyano-benzenecarbonitrile Openeye Name: 3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyano-benzonitrile CAS Name: 3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyanobenzonitrile IUPAC Name: 3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyanobenzonitrile Traditional Name: 3-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-5-isocyano-benzonitrile Formula: C16H16N4 MolecularWeight: 264.32504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)CC)CC2=CC(=CC(=C2)C#N)[N+]#[C-]

Isomeric SMILES

CCC1=C(C(=NN1)CC)CC2=CC(=CC(=C2)C#N)[N+]#[C-]

InChI

InChI=1S/C16H16N4/c1-4-15-14(16(5-2)20-19-15)9-11-6-12(10-17)8-13(7-11)18-3/h6-8H,4-5,9H2,1-2H3,(H,19,20)