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

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]-4,6-diphenyl-3-pyridazinone IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-4,6-diphenylpyridazin-3-one Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazino]but-2-ynyl]-4,6-diphenyl-pyridazin-3-one Formula: C31H30N4O2 MolecularWeight: 490.5955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30N4O2/c1-37-30-17-9-8-16-29(30)34-22-20-33(21-23-34)18-10-11-19-35-31(36)27(25-12-4-2-5-13-25)24-28(32-35)26-14-6-3-7-15-26/h2-9,12-17,24H,18-23H2,1H3