N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H25N3O5 MolecularWeight: 471.5045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O5/c1-32-20-9-10-21(24(15-20)33-2)26-22(17-30(29-26)19-6-4-3-5-7-19)27(31)28-16-18-8-11-23-25(14-18)35-13-12-34-23/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,31)