N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(o-tolyl)-1-phenyl-N-piperonyl-pyrazole-4-carboxamide Formula: C25H21N3O3 MolecularWeight: 411.45254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3/c1-17-7-5-6-10-20(17)24-21(15-28(27-24)19-8-3-2-4-9-19)25(29)26-14-18-11-12-22-23(13-18)31-16-30-22/h2-13,15H,14,16H2,1H3,(H,26,29)