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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-piperonyl-1H-pyrazole-5-carboxamide Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-24-14-5-3-13(4-6-14)15-9-16(22-21-15)19(23)20-10-12-2-7-17-18(8-12)26-11-25-17/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22)