(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-2-phenyl-4-piperonylidene-5-propyl-2-pyrazolin-3-one Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c1-2-6-17-16(11-14-9-10-18-19(12-14)25-13-24-18)20(23)22(21-17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3/b16-11+