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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methoxyphenyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(3-methoxyphenyl)-2-phenyl-N-piperonyl-pyrazole-3-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4/c1-30-20-9-5-6-18(13-20)21-14-22(28(27-21)19-7-3-2-4-8-19)25(29)26-15-17-10-11-23-24(12-17)32-16-31-23/h2-14H,15-16H2,1H3,(H,26,29)