N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-nitrophenyl)acetamide Formula: C21H19FN6O3 MolecularWeight: 422.412363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN6O3/c22-15-5-9-16(10-6-15)27-21(24)18(13-23)19(26-27)2-1-11-25-20(29)12-14-3-7-17(8-4-14)28(30)31/h3-10H,1-2,11-12,24H2,(H,25,29)