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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)C(=O)C3=CC=CO3

Isomeric SMILES

CN(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H21FN6O3/c1-27(21(30)18-5-3-11-31-18)13-19(29)25-10-2-4-17-16(12-23)20(24)28(26-17)15-8-6-14(22)7-9-15/h3,5-9,11H,2,4,10,13,24H2,1H3,(H,25,29)