N-(3-chloranyl-2,6-diethyl-phenyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(3-chloro-2,6-diethyl-phenyl)pyrazole-4-carboxamide Formula: C21H21Cl2N3O MolecularWeight: 402.31694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21Cl2N3O/c1-3-14-9-10-19(23)17(4-2)20(14)25-21(27)16-11-24-26(13-16)12-15-7-5-6-8-18(15)22/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)