1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-4-one

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridyl)prop-1-ynyl]quinolin-4-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(3-pyridinyl)prop-1-ynyl]-4-quinolinone IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-3-ylprop-1-ynyl)quinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(3-pyridyl)prop-1-ynyl]-4-quinolone Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CN=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)C#CCC3=CN=CC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O3S/c1-28-18-22(15-20-8-11-23(12-9-20)32(2,30)31)26(29)24-16-19(10-13-25(24)28)5-3-6-21-7-4-14-27-17-21/h4,7-14,16-18H,6,15H2,1-2H3