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

Systemtic Name: 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-butyl-1-methyl-5-methylol-pyrazol-4-yl)methyl]phenyl]benzonitrile Formula: C23H25N3O MolecularWeight: 359.4641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O/c1-3-4-9-22-21(23(16-27)26(2)25-22)14-17-10-12-18(13-11-17)20-8-6-5-7-19(20)15-24/h5-8,10-13,27H,3-4,9,14,16H2,1-2H3