5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-chlorobenzyl)-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2OS/c1-3-4-8-18-20(16-9-10-26-13-16)19(21(23)25)14(2)24(18)12-15-6-5-7-17(22)11-15/h5-7,9-11,13H,3-4,8,12H2,1-2H3,(H2,23,25)