N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-piperonylamide Formula: C19H17N5O4 MolecularWeight: 379.36938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)N4C=NC=N4

InChI

InChI=1S/C19H17N5O4/c1-12(24-10-20-9-21-24)18(25)22-14-3-5-15(6-4-14)23-19(26)13-2-7-16-17(8-13)28-11-27-16/h2-10,12H,11H2,1H3,(H,22,25)(H,23,26)