N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-2-oxidanyl-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-2-oxidanyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-hydroxy-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-5-bromo-2-hydroxybenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-hydroxybenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-2-hydroxy-benzamide Formula: C20H17BrFN5O2 MolecularWeight: 458.283683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFN5O2/c21-12-3-8-18(28)15(10-12)20(29)25-9-1-2-17-16(11-23)19(24)27(26-17)14-6-4-13(22)5-7-14/h3-8,10,28H,1-2,9,24H2,(H,25,29)