2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide

Systemtic Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Openeye Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide CAS Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-pyrrolecarboxamide IUPAC Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Traditional Name: 2-(3-cyano-4-neopentyloxy-phenyl)-1-(4-fluorophenyl)pyrrole-3-carboxamide Formula: C23H22FN3O2 MolecularWeight: 391.438083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C(C=C(C=C1)C2=C(C=CN2C3=CC=C(C=C3)F)C(=O)N)C#N

Isomeric SMILES

CC(C)(C)COC1=C(C=C(C=C1)C2=C(C=CN2C3=CC=C(C=C3)F)C(=O)N)C#N

InChI

InChI=1S/C23H22FN3O2/c1-23(2,3)14-29-20-9-4-15(12-16(20)13-25)21-19(22(26)28)10-11-27(21)18-7-5-17(24)6-8-18/h4-12H,14H2,1-3H3,(H2,26,28)