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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-cyano-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-cyano-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-cyanobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-cyanobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-cyano-benzamide Formula: C21H17FN6O MolecularWeight: 388.397683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN6O/c22-16-6-8-17(9-7-16)28-20(25)18(13-24)19(27-28)5-2-10-26-21(29)15-4-1-3-14(11-15)12-23/h1,3-4,6-9,11H,2,5,10,25H2,(H,26,29)