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

Systemtic Name: 2-[4-[[5-butyl-1-(2-hydroxyethyl)-2-methyl-3-oxidanylidene-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-butyl-1-(2-hydroxyethyl)-2-methyl-3-oxo-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-butyl-1-(2-hydroxyethyl)-2-methyl-3-oxo-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-butyl-1-(2-hydroxyethyl)-2-methyl-3-oxopyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-butyl-1-(2-hydroxyethyl)-3-keto-2-methyl-3-pyrazolin-4-yl]methyl]phenyl]benzonitrile Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(N1CCO)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H27N3O2/c1-3-4-9-23-22(24(29)26(2)27(23)14-15-28)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