5-tert-butyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-tert-butyl-3-oxidanylidene-2-phenyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-tert-butyl-3-oxo-2-phenyl-1H-pyrazole-4-carbonitrile CAS Name: 5-tert-butyl-3-oxo-2-phenyl-1H-pyrazole-4-carbonitrile IUPAC Name: 5-tert-butyl-3-oxo-2-phenyl-1H-pyrazole-4-carbonitrile Traditional Name: 3-tert-butyl-5-keto-1-phenyl-3-pyrazoline-4-carbonitrile Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C14H15N3O/c1-14(2,3)12-11(9-15)13(18)17(16-12)10-7-5-4-6-8-10/h4-8,16H,1-3H3