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

Systemtic Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-isocyano-benzenecarbonitrile Openeye Name: 3-[[5-(2-benzyloxyethyl)-3-ethyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzonitrile CAS Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[[3-ethyl-5-(2-phenylmethoxyethyl)-1H-pyrazol-4-yl]oxy]-5-isocyanobenzonitrile Traditional Name: 3-[[5-(2-benzoxyethyl)-3-ethyl-1H-pyrazol-4-yl]oxy]-5-isocyano-benzonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)CCOCC3=CC=CC=C3

Isomeric SMILES

CCC1=NNC(=C1OC2=CC(=CC(=C2)[N+]#[C-])C#N)CCOCC3=CC=CC=C3

InChI

InChI=1S/C22H20N4O2/c1-3-20-22(28-19-12-17(14-23)11-18(13-19)24-2)21(26-25-20)9-10-27-15-16-7-5-4-6-8-16/h4-8,11-13H,3,9-10,15H2,1H3,(H,25,26)