N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-1-(4-fluorophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)pyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-(4-methyl-5-piperonyl-thiazol-2-yl)pyrazole-3-carboxamide Formula: C22H17FN4O3S MolecularWeight: 436.458783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17FN4O3S/c1-13-20(11-14-2-7-18-19(10-14)30-12-29-18)31-22(24-13)25-21(28)17-8-9-27(26-17)16-5-3-15(23)4-6-16/h2-10H,11-12H2,1H3,(H,24,25,28)