5-butyl-4-(4-tert-butylphenyl)-1-[(3-chlorophenyl)methyl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-4-(4-tert-butylphenyl)-1-[(3-chlorophenyl)methyl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-4-(4-tert-butylphenyl)-1-[(3-chlorophenyl)methyl]-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-4-(4-tert-butylphenyl)-1-[(3-chlorophenyl)methyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-4-(4-tert-butylphenyl)-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-tert-butylphenyl)-1-(3-chlorobenzyl)-2-methyl-pyrrole-3-carboxamide Formula: C27H33ClN2O MolecularWeight: 437.01672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H33ClN2O/c1-6-7-11-23-25(20-12-14-21(15-13-20)27(3,4)5)24(26(29)31)18(2)30(23)17-19-9-8-10-22(28)16-19/h8-10,12-16H,6-7,11,17H2,1-5H3,(H2,29,31)