3-[3,5-diethyl-1-(3-oxidanylpropyl)pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3,5-diethyl-1-(3-oxidanylpropyl)pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3,5-diethyl-1-(3-hydroxypropyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3,5-diethyl-1-(3-hydroxypropyl)-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3,5-diethyl-1-(3-hydroxypropyl)pyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[3,5-diethyl-1-(3-hydroxypropyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C18H20N4O2 MolecularWeight: 324.377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CCCO)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CCCO)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C18H20N4O2/c1-4-16-18(17(5-2)22(21-16)7-6-8-23)24-15-10-13(12-19)9-14(11-15)20-3/h9-11,23H,4-8H2,1-2H3