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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=CC=C(C=C1)C2=CN(C(=C2C#N)C(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)COC1=CC=C(C=C1)C2=CN(C(=C2C#N)C(=O)N)C3=CC=C(C=C3)F

InChI

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