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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCN4C=NC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)CCN4C=NC=N4

InChI

InChI=1S/C19H17N5O4/c25-18(6-7-24-11-20-10-21-24)22-14-2-1-3-15(9-14)23-19(26)13-4-5-16-17(8-13)28-12-27-16/h1-5,8-11H,6-7,12H2,(H,22,25)(H,23,26)