N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide

Systemtic Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide Openeye Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide CAS Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide Traditional Name: N-[1-[2-keto-2-(piperonylamino)ethyl]pyrazol-4-yl]-3-phenoxy-propionamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O5/c27-21(8-9-29-18-4-2-1-3-5-18)25-17-12-24-26(13-17)14-22(28)23-11-16-6-7-19-20(10-16)31-15-30-19/h1-7,10,12-13H,8-9,11,14-15H2,(H,23,28)(H,25,27)