N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide Openeye Name: N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide CAS Name: N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazolecarboxamide IUPAC Name: N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide Traditional Name: N-(2-adamantyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide Formula: C27H26Cl3N3O MolecularWeight: 514.87384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=C(N(N=C1C(=O)NC2C3CC4CC(C3)CC2C4)C5=C(C=C(C=C5)Cl)Cl)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H26Cl3N3O/c1-14-24(27(34)31-25-18-9-15-8-16(11-18)12-19(25)10-15)32-33(23-7-6-21(29)13-22(23)30)26(14)17-2-4-20(28)5-3-17/h2-7,13,15-16,18-19,25H,8-12H2,1H3,(H,31,34)