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

Systemtic Name: 2-[4-[[2-methyl-5-(2-methylpropyl)-3-oxidanylidene-1H-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-isobutyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[2-methyl-5-(2-methylpropyl)-3-oxo-1H-pyrazol-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[2-methyl-5-(2-methylpropyl)-3-oxo-1H-pyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-isobutyl-5-keto-1-methyl-3-pyrazolin-4-yl)methyl]phenyl]benzonitrile Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O/c1-15(2)12-21-20(22(26)25(3)24-21)13-16-8-10-17(11-9-16)19-7-5-4-6-18(19)14-23/h4-11,15,24H,12-13H2,1-3H3