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

Systemtic Name: 3-acetamido-N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-(2-thienyl)propionamide Formula: C22H23FN6O2S MolecularWeight: 454.520423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C22H23FN6O2S/c1-14(30)27-19(20-5-3-11-32-20)12-21(31)26-10-2-4-18-17(13-24)22(25)29(28-18)16-8-6-15(23)7-9-16/h3,5-9,11,19H,2,4,10,12,25H2,1H3,(H,26,31)(H,27,30)