5-[3-[4-(3-oxidanyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile

Systemtic Name: 5-[3-[4-(3-oxidanyloxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile Openeye Name: 5-[3-[4-(3-hydroxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-isopropoxy-benzonitrile CAS Name: 5-[3-[4-(3-hydroxy-3-oxetanyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile IUPAC Name: 5-[3-[4-(3-hydroxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile Traditional Name: 5-[3-[4-(3-hydroxyoxetan-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-isopropoxy-benzonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C4(COC4)O)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C4(COC4)O)C#N

InChI

InChI=1S/C21H19N3O4/c1-13(2)27-18-8-5-15(9-16(18)10-22)20-23-19(24-28-20)14-3-6-17(7-4-14)21(25)11-26-12-21/h3-9,13,25H,11-12H2,1-2H3