N-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxidanylidene-ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-2-oxoethyl]-2-fluorobenzamide IUPAC Name: N-[2-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-2-oxoethyl]-2-fluorobenzamide Traditional Name: N-[2-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-2-keto-ethyl]-2-fluoro-benzamide Formula: C22H21FN6O2 MolecularWeight: 420.439543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CNC(=O)C3=CC=CC=C3F)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)CNC(=O)C3=CC=CC=C3F)C#N)N

InChI

InChI=1S/C22H21FN6O2/c23-18-10-5-4-9-16(18)22(31)27-14-20(30)26-12-6-11-19-17(13-24)21(25)29(28-19)15-7-2-1-3-8-15/h1-5,7-10H,6,11-12,14,25H2,(H,26,30)(H,27,31)