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

Systemtic Name: N-[3-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-3-keto-propyl]-2-furamide Formula: C21H21FN6O3 MolecularWeight: 424.428243

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=COC(=C1)C(=O)NCCC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN6O3/c22-14-5-7-15(8-6-14)28-20(24)16(13-23)17(27-28)3-1-10-25-19(29)9-11-26-21(30)18-4-2-12-31-18/h2,4-8,12H,1,3,9-11,24H2,(H,25,29)(H,26,30)