4-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-(3,5-dimethyl-1-pyrazolyl)-2-hydroxypropoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxy-propoxy]phenyl]benzonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O)C

Isomeric SMILES

CC1=CC(=NN1CC(COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)O)C

InChI

InChI=1S/C21H21N3O2/c1-15-11-16(2)24(23-15)13-20(25)14-26-21-9-7-19(8-10-21)18-5-3-17(12-22)4-6-18/h3-11,20,25H,13-14H2,1-2H3