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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-iodanyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-iodo-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-iodobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-iodobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-iodo-benzamide Formula: C20H17FIN5O MolecularWeight: 489.284753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)I

InChI

InChI=1S/C20H17FIN5O/c21-14-5-9-16(10-6-14)27-19(24)17(12-23)18(26-27)2-1-11-25-20(28)13-3-7-15(22)8-4-13/h3-10H,1-2,11,24H2,(H,25,28)