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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-5-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-5-phenyl-pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-5-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)-5-phenyl-N-piperonyl-pyrazole-3-carboxamide Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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