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

Systemtic Name: 3-[1-(azetidin-3-yl)-3,5-diethyl-pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[1-(azetidin-3-yl)-3,5-diethyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[1-(3-azetidinyl)-3,5-diethyl-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[1-(azetidin-3-yl)-3,5-diethylpyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-[1-(azetidin-3-yl)-3,5-diethyl-pyrazol-4-yl]oxy-5-isocyano-benzonitrile Formula: C18H19N5O MolecularWeight: 321.37636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2CNC2)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1C2CNC2)CC)OC3=CC(=CC(=C3)[N+]#[C-])C#N

InChI

InChI=1S/C18H19N5O/c1-4-16-18(17(5-2)23(22-16)14-10-21-11-14)24-15-7-12(9-19)6-13(8-15)20-3/h6-8,14,21H,4-5,10-11H2,1-2H3