1-(3-piperidin-1-ylsulfonylphenyl)-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one

Systemtic Name: 1-(3-piperidin-1-ylsulfonylphenyl)-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one Openeye Name: 1-[3-(1-piperidylsulfonyl)phenyl]-3-[2-(5-quinolyl)pyrazol-3-yl]pyridazin-4-one CAS Name: 1-[3-(1-piperidinylsulfonyl)phenyl]-3-[2-(5-quinolinyl)-3-pyrazolyl]-4-pyridazinone IUPAC Name: 1-(3-piperidin-1-ylsulfonylphenyl)-3-(2-quinolin-5-ylpyrazol-3-yl)pyridazin-4-one Traditional Name: 1-(3-piperidinosulfonylphenyl)-3-[2-(5-quinolyl)pyrazol-3-yl]pyridazin-4-one Formula: C27H24N6O3S MolecularWeight: 512.58286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3C=CC(=O)C(=N3)C4=CC=NN4C5=CC=CC6=C5C=CC=N6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)N3C=CC(=O)C(=N3)C4=CC=NN4C5=CC=CC6=C5C=CC=N6

InChI

InChI=1S/C27H24N6O3S/c34-26-13-18-32(20-7-4-8-21(19-20)37(35,36)31-16-2-1-3-17-31)30-27(26)25-12-15-29-33(25)24-11-5-10-23-22(24)9-6-14-28-23/h4-15,18-19H,1-3,16-17H2