4-(1-tert-butyl-4-methanoyl-pyrazol-3-yl)benzenecarbonitrile

Systemtic Name: 4-(1-tert-butyl-4-methanoyl-pyrazol-3-yl)benzenecarbonitrile Openeye Name: 4-(1-tert-butyl-4-formyl-pyrazol-3-yl)benzonitrile CAS Name: 4-(1-tert-butyl-4-formyl-3-pyrazolyl)benzonitrile IUPAC Name: 4-(1-tert-butyl-4-formylpyrazol-3-yl)benzonitrile Traditional Name: 4-(1-tert-butyl-4-formyl-pyrazol-3-yl)benzonitrile Formula: C15H15N3O MolecularWeight: 253.2991

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)C#N)C=O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)C#N)C=O

InChI

InChI=1S/C15H15N3O/c1-15(2,3)18-9-13(10-19)14(17-18)12-6-4-11(8-16)5-7-12/h4-7,9-10H,1-3H3