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

Systemtic Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4Z)-2-phenyl-4-[1-(piperonylamino)ethylidene]-5-propyl-2-pyrazolin-3-one Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C(C)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-3-7-18-21(22(26)25(24-18)17-8-5-4-6-9-17)15(2)23-13-16-10-11-19-20(12-16)28-14-27-19/h4-6,8-12,23H,3,7,13-14H2,1-2H3/b21-15-