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

Systemtic Name: 2-[4-[(5-butyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(3-butyl-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:

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O/c1-3-4-9-21-20(22(26)25(2)24-21)14-16-10-12-17(13-11-16)19-8-6-5-7-18(19)15-23/h5-8,10-13,24H,3-4,9,14H2,1-2H3