3-cyano-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

Systemtic Name: 3-cyano-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide Openeye Name: 3-cyano-N-isopentyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide CAS Name: 3-cyano-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolecarboxamide IUPAC Name: 3-cyano-N-(3-methylbutyl)-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide Traditional Name: 3-cyano-N-isoamyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide Formula: C18H18F3N3O MolecularWeight: 349.35023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=CN1C2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=CN1C2=CC=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C18H18F3N3O/c1-12(2)6-8-23-17(25)16-13(11-22)7-9-24(16)15-5-3-4-14(10-15)18(19,20)21/h3-5,7,9-10,12H,6,8H2,1-2H3,(H,23,25)