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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: 1-phenyl-N-piperonyl-5-propyl-pyrazole-4-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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