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

Systemtic Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one Openeye Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-pyrazol-3-one CAS Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenyl-3-pyrazolone IUPAC Name: (4Z)-4-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-5-(4-methoxyphenyl)-2-phenylpyrazol-3-one Traditional Name: (4Z)-5-(4-methoxyphenyl)-2-phenyl-4-[1-(piperonylamino)ethylidene]-2-pyrazolin-3-one Formula: C26H23N3O4 MolecularWeight: 441.47852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)/NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4/c1-17(27-15-18-8-13-22-23(14-18)33-16-32-22)24-25(19-9-11-21(31-2)12-10-19)28-29(26(24)30)20-6-4-3-5-7-20/h3-14,27H,15-16H2,1-2H3/b24-17-