N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)acetamide Formula: C21H19BrFN5O2 MolecularWeight: 472.310263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)COC3=CC=C(C=C3)Br)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)COC3=CC=C(C=C3)Br)C#N)N)F

InChI

InChI=1S/C21H19BrFN5O2/c22-14-3-9-17(10-4-14)30-13-20(29)26-11-1-2-19-18(12-24)21(25)28(27-19)16-7-5-15(23)6-8-16/h3-10H,1-2,11,13,25H2,(H,26,29)