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

Systemtic Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methyl-pyrazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methyl-pyrazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methyl-3-pyrazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide Traditional Name: N-cetyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxamide Formula: C33H44Cl3N3O MolecularWeight: 605.08096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C33H44Cl3N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-37-33(40)31-25(2)32(26-17-19-27(34)20-18-26)39(38-31)30-22-21-28(35)24-29(30)36/h17-22,24H,3-16,23H2,1-2H3,(H,37,40)