N-tert-butyl-2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-oxidanylidene-pyrazole-4-carboxamide

Systemtic Name: N-tert-butyl-2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-oxidanylidene-pyrazole-4-carboxamide Openeye Name: N-tert-butyl-2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-oxo-pyrazole-4-carboxamide CAS Name: N-tert-butyl-2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-oxo-4-pyrazolecarboxamide IUPAC Name: N-tert-butyl-2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]-3-oxopyrazole-4-carboxamide Traditional Name: N-tert-butyl-2-(4-chlorophenyl)-1-(2,4-dichlorobenzyl)-3-keto-3-pyrazoline-4-carboxamide Formula: C21H20Cl3N3O2 MolecularWeight: 452.7614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CN(N(C1=O)C2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=CN(N(C1=O)C2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl3N3O2/c1-21(2,3)25-19(28)17-12-26(11-13-4-5-15(23)10-18(13)24)27(20(17)29)16-8-6-14(22)7-9-16/h4-10,12H,11H2,1-3H3,(H,25,28)