3-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-5-isocyano-benzenecarbonitrile Openeye Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-5-isocyano-benzonitrile CAS Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]methyl]-5-isocyanobenzonitrile IUPAC Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-5-isocyanobenzonitrile Traditional Name: 3-[[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-5-isocyano-benzonitrile Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)CC)CC2=CC(=CC(=C2)C#N)[N+]#[C-]

Isomeric SMILES

CCC1=C(C(=NN1CCO)CC)CC2=CC(=CC(=C2)C#N)[N+]#[C-]

InChI

InChI=1S/C18H20N4O/c1-4-17-16(18(5-2)22(21-17)6-7-23)11-13-8-14(12-19)10-15(9-13)20-3/h8-10,23H,4-7,11H2,1-2H3