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

Systemtic Name: 3-acetamido-N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide Openeye Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide CAS Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]benzamide IUPAC Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide Traditional Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]benzamide Formula: C22H21FN6O2 MolecularWeight: 420.439543

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN6O2/c1-14(30)27-17-5-2-4-15(12-17)22(31)26-11-3-6-20-19(13-24)21(25)29(28-20)18-9-7-16(23)8-10-18/h2,4-5,7-10,12H,3,6,11,25H2,1H3,(H,26,31)(H,27,30)