N-[4-(tert-butylcarbamoyl)phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-(tert-butylcarbamoyl)phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[4-(tert-butylcarbamoyl)phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[4-[(tert-butylamino)-oxomethyl]phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-(tert-butylcarbamoyl)phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(tert-butylcarbamoyl)phenyl]-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl

InChI

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