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

Systemtic Name: 2-[4-[(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)methyl]phenyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O/c1-3-6-20-19(21(25)24(2)23-20)13-15-9-11-16(12-10-15)18-8-5-4-7-17(18)14-22/h4-5,7-12,23H,3,6,13H2,1-2H3