3-[3-ethyl-1-(2-hydroxyethyl)-5-propan-2-yl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3-ethyl-1-(2-hydroxyethyl)-5-propan-2-yl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3-ethyl-1-(2-hydroxyethyl)-5-isopropyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3-ethyl-1-(2-hydroxyethyl)-5-propan-2-yl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3-ethyl-1-(2-hydroxyethyl)-5-propan-2-ylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[3-ethyl-1-(2-hydroxyethyl)-5-isopropyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)C(C)C)CCO

Isomeric SMILES

CCC1=NN(C(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)C(C)C)CCO

InChI

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