3-[3-tert-butyl-1-(2-hydroxyethyl)-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3-tert-butyl-1-(2-hydroxyethyl)-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3-tert-butyl-1-(2-hydroxyethyl)-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3-tert-butyl-1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3-tert-butyl-1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[3-tert-butyl-1-(2-hydroxyethyl)-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCO)C(C)(C)C)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CC1=C(C(=NN1CCO)C(C)(C)C)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C18H20N4O2/c1-12-16(17(18(2,3)4)21-22(12)6-7-23)24-15-9-13(11-19)8-14(10-15)20-5/h8-10,23H,6-7H2,1-4H3