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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromanylphenoxy)propanamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)propanamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(4-bromophenoxy)propanamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)propanamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(4-bromophenoxy)propionamide Formula: C22H21BrFN5O2 MolecularWeight: 486.336843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrFN5O2/c1-14(31-18-10-4-15(23)5-11-18)22(30)27-12-2-3-20-19(13-25)21(26)29(28-20)17-8-6-16(24)7-9-17/h4-11,14H,2-3,12,26H2,1H3,(H,27,30)