1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Formula: C23H20N4O4 MolecularWeight: 416.4293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

InChI

InChI=1S/C23H20N4O4/c1-15(28)16-3-6-18(7-4-16)25-23(29)19-14-27(10-2-9-24)26-22(19)17-5-8-20-21(13-17)31-12-11-30-20/h3-8,13-14H,2,10-12H2,1H3,(H,25,29)