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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromanyl-5-fluoranyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-fluoro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-bromo-5-fluorobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-fluorobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-bromo-5-fluoro-benzamide Formula: C20H16BrF2N5O MolecularWeight: 460.274746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrF2N5O/c21-17-8-5-13(23)10-15(17)20(29)26-9-1-2-18-16(11-24)19(25)28(27-18)14-6-3-12(22)4-7-14/h3-8,10H,1-2,9,25H2,(H,26,29)