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

Systemtic Name: 3-[1-(2-hydroxyethyl)-5-methyl-3-propan-2-yl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[1-(2-hydroxyethyl)-3-isopropyl-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[1-(2-hydroxyethyl)-5-methyl-3-propan-2-yl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[1-(2-hydroxyethyl)-5-methyl-3-propan-2-ylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[1-(2-hydroxyethyl)-3-isopropyl-5-methyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2/c1-11(2)16-17(12(3)21(20-16)5-6-22)23-15-8-13(10-18)7-14(9-15)19-4/h7-9,11,22H,5-6H2,1-3H3