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

Systemtic Name: N-[4-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxidanylidene-butyl]furan-2-carboxamide Openeye Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxo-butyl]furan-2-carboxamide CAS Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propylamino]-4-oxobutyl]-2-furancarboxamide IUPAC Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-oxobutyl]furan-2-carboxamide Traditional Name: N-[4-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propylamino]-4-keto-butyl]-2-furamide Formula: C22H23FN6O3 MolecularWeight: 438.454823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O3/c23-15-7-9-16(10-8-15)29-21(25)17(14-24)18(28-29)4-1-11-26-20(30)6-2-12-27-22(31)19-5-3-13-32-19/h3,5,7-10,13H,1-2,4,6,11-12,25H2,(H,26,30)(H,27,31)