N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3/c1-2-18-17(13-23-24(18)15-8-4-3-5-9-15)21(25)22-12-16-14-26-19-10-6-7-11-20(19)27-16/h3-11,13,16H,2,12,14H2,1H3,(H,22,25)