N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-cyano-benzamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-3-cyano-benzamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-cyano-benzamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-3-cyanobenzamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-3-cyanobenzamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-3-cyano-benzamide Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O/c1-22(2,3)19-13-20(26(25-19)15-16-8-5-4-6-9-16)24-21(27)18-11-7-10-17(12-18)14-23/h4-13H,15H2,1-3H3,(H,24,27)