(4E)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-2-phenyl-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-one Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C(\C)/NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3/c1-13(21-11-15-8-9-17-18(10-15)26-12-25-17)19-14(2)22-23(20(19)24)16-6-4-3-5-7-16/h3-10,21H,11-12H2,1-2H3/b19-13+