6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4-phenyl-pyridazin-3-one

Systemtic Name: 6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4-phenyl-pyridazin-3-one Openeye Name: 6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4-phenyl-pyridazin-3-one CAS Name: 6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]-4-phenyl-3-pyridazinone IUPAC Name: 6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4-phenylpyridazin-3-one Traditional Name: 6-(4-fluorophenyl)-2-[4-[4-(2-methoxyphenyl)piperazino]but-2-ynyl]-4-phenyl-pyridazin-3-one Formula: C31H29FN4O2 MolecularWeight: 508.585963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)C(=CC(=N3)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#CCN3C(=O)C(=CC(=N3)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C31H29FN4O2/c1-38-30-12-6-5-11-29(30)35-21-19-34(20-22-35)17-7-8-18-36-31(37)27(24-9-3-2-4-10-24)23-28(33-36)25-13-15-26(32)16-14-25/h2-6,9-16,23H,17-22H2,1H3