N-[2-oxidanylidene-2-(3-pyrazol-1-ylpropylamino)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(3-pyrazol-1-ylpropylamino)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[3-(1-pyrazolyl)propylamino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-(3-pyrazol-1-ylpropylamino)ethyl]-piperonylamide Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCCCN3C=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C16H18N4O4/c21-15(17-5-1-7-20-8-2-6-19-20)10-18-16(22)12-3-4-13-14(9-12)24-11-23-13/h2-4,6,8-9H,1,5,7,10-11H2,(H,17,21)(H,18,22)