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

Systemtic Name: 3-[3-cyclopropyl-5-ethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3-cyclopropyl-5-ethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3-cyclopropyl-5-ethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3-cyclopropyl-5-ethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[3-cyclopropyl-5-ethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCO)C2CC2)OC3=CC(=CC(=C3)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CCO)C2CC2)OC3=CC(=CC(=C3)[N+]#[C-])C#N

InChI

InChI=1S/C18H18N4O2/c1-3-16-18(17(13-4-5-13)21-22(16)6-7-23)24-15-9-12(11-19)8-14(10-15)20-2/h8-10,13,23H,3-7H2,1H3