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

Systemtic Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Openeye Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide CAS Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)-3-pyrrolecarboxamide IUPAC Name: N-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1-(4-fluorophenyl)pyrrole-3-carboxamide Traditional Name: N-(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)NC(=O)C2=CN(C=C2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

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

InChI

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