N-(tert-butylcarbamoyl)-3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide

Systemtic Name: N-(tert-butylcarbamoyl)-3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide Openeye Name: N-(tert-butylcarbamoyl)-3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide CAS Name: N-[(tert-butylamino)-oxomethyl]-3-[3-(2-chlorophenyl)phenyl]-1-pyrazolecarboxamide IUPAC Name: N-(tert-butylcarbamoyl)-3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide Traditional Name: N-(tert-butylcarbamoyl)-3-[3-(2-chlorophenyl)phenyl]pyrazole-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-21(2,3)24-19(27)23-20(28)26-12-11-18(25-26)15-8-6-7-14(13-15)16-9-4-5-10-17(16)22/h4-13H,1-3H3,(H2,23,24,27,28)