N-(2-tert-butylphenyl)-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide

Systemtic Name: N-(2-tert-butylphenyl)-3-[(4-chloranylpyrazol-1-yl)methyl]benzamide Openeye Name: N-(2-tert-butylphenyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide CAS Name: N-(2-tert-butylphenyl)-3-[(4-chloro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-tert-butylphenyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-tert-butylphenyl)-3-[(4-chloropyrazol-1-yl)methyl]benzamide Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C21H22ClN3O/c1-21(2,3)18-9-4-5-10-19(18)24-20(26)16-8-6-7-15(11-16)13-25-14-17(22)12-23-25/h4-12,14H,13H2,1-3H3,(H,24,26)