N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-2-chloranyl-benzamide

Systemtic Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-2-chloranyl-benzamide Openeye Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-3-pyrazolyl]-2-chlorobenzamide IUPAC Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyanopyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[2-tert-butyl-5-(4-chlorophenyl)-4-cyano-pyrazol-3-yl]-2-chloro-benzamide Formula: C21H18Cl2N4O MolecularWeight: 413.29982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)Cl)C#N)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18Cl2N4O/c1-21(2,3)27-19(25-20(28)15-6-4-5-7-17(15)23)16(12-24)18(26-27)13-8-10-14(22)11-9-13/h4-11H,1-3H3,(H,25,28)