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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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