6-(3-fluoranyl-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-4-(3-piperazin-1-ylpropyl)pyridazin-3-one

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-4-(3-piperazin-1-ylpropyl)pyridazin-3-one Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-2-[(4-fluorophenyl)methyl]-4-(3-piperazin-1-ylpropyl)pyridazin-3-one CAS Name: 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-[3-(1-piperazinyl)propyl]-3-pyridazinone IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-4-(3-piperazin-1-ylpropyl)pyridazin-3-one Traditional Name: 2-(4-fluorobenzyl)-6-(3-fluoro-4-methoxy-phenyl)-4-(3-piperazinopropyl)pyridazin-3-one Formula: C25H28F2N4O2 MolecularWeight: 454.512226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CCCN3CCNCC3)CC4=CC=C(C=C4)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2)CCCN3CCNCC3)CC4=CC=C(C=C4)F)F

InChI

InChI=1S/C25H28F2N4O2/c1-33-24-9-6-19(15-22(24)27)23-16-20(3-2-12-30-13-10-28-11-14-30)25(32)31(29-23)17-18-4-7-21(26)8-5-18/h4-9,15-16,28H,2-3,10-14,17H2,1H3