N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[2-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-2-keto-ethyl]-5-bromo-2-furamide Formula: C20H18BrFN6O3 MolecularWeight: 489.297723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CNC(=O)C3=CC=C(O3)Br)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)CNC(=O)C3=CC=C(O3)Br)C#N)N)F

InChI

InChI=1S/C20H18BrFN6O3/c21-17-8-7-16(31-17)20(30)26-11-18(29)25-9-1-2-15-14(10-23)19(24)28(27-15)13-5-3-12(22)4-6-13/h3-8H,1-2,9,11,24H2,(H,25,29)(H,26,30)