N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: 5-methyl-2-phenyl-N-[2-(piperonylcarbamoyl)phenyl]triazole-4-carboxamide Formula: C25H21N5O4 MolecularWeight: 455.46534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O4/c1-16-23(29-30(28-16)18-7-3-2-4-8-18)25(32)27-20-10-6-5-9-19(20)24(31)26-14-17-11-12-21-22(13-17)34-15-33-21/h2-13H,14-15H2,1H3,(H,26,31)(H,27,32)