2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-N-phenethyl-pyrazole-3-carboxamide

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-N-phenethyl-pyrazole-3-carboxamide CAS Name: 2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-N-phenethylpyrazole-3-carboxamide Traditional Name: 2-(4-tert-butylbenzyl)-5-(4-chlorophenyl)-N-phenethyl-pyrazole-3-carboxamide Formula: C29H30ClN3O MolecularWeight: 472.021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H30ClN3O/c1-29(2,3)24-13-9-22(10-14-24)20-33-27(19-26(32-33)23-11-15-25(30)16-12-23)28(34)31-18-17-21-7-5-4-6-8-21/h4-16,19H,17-18,20H2,1-3H3,(H,31,34)