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

Systemtic Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-2-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-(2-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-2-yl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3-chlorophenyl)methyl]-2-methyl-4-thiophen-2-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-chlorobenzyl)-2-methyl-4-(2-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=CC=CS3

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=CC=C2)Cl)C)C(=O)N)C3=CC=CS3

InChI

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