methyl 3-[4-[[6-(4-cyanophenyl)pyridazin-3-yl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[[6-(4-cyanophenyl)pyridazin-3-yl]amino]phenyl]propanoate Openeye Name: methyl 3-[4-[[6-(4-cyanophenyl)pyridazin-3-yl]amino]phenyl]propanoate CAS Name: 3-[4-[[6-(4-cyanophenyl)-3-pyridazinyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[[6-(4-cyanophenyl)pyridazin-3-yl]amino]phenyl]propanoate Traditional Name: 3-[4-[[6-(4-cyanophenyl)pyridazin-3-yl]amino]phenyl]propionic acid methyl ester Formula: C21H18N4O2 MolecularWeight: 358.39322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC2=NN=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N4O2/c1-27-21(26)13-6-15-4-9-18(10-5-15)23-20-12-11-19(24-25-20)17-7-2-16(14-22)3-8-17/h2-5,7-12H,6,13H2,1H3,(H,23,25)