N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-5-methyl-N-piperonyl-1,2,4-triazole-3-carboxamide Formula: C18H15FN4O3 MolecularWeight: 354.335103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15FN4O3/c1-11-21-17(22-23(11)14-5-3-13(19)4-6-14)18(24)20-9-12-2-7-15-16(8-12)26-10-25-15/h2-8H,9-10H2,1H3,(H,20,24)