2-[4-[[3-butyl-5-(2-hydroxyethyloxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[3-butyl-5-(2-hydroxyethyloxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[3-butyl-5-(2-hydroxyethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCCO)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCCO)C

InChI

InChI=1S/C24H27N3O2/c1-3-4-9-23-22(24(27(2)26-23)29-15-14-28)16-18-10-12-19(13-11-18)21-8-6-5-7-20(21)17-25/h5-8,10-13,28H,3-4,9,14-16H2,1-2H3