1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-2,3-dihydroquinolin-4-one

Systemtic Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-2,3-dihydroquinolin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(4-pyridyl)prop-1-ynyl]-2,3-dihydroquinolin-4-one CAS Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-2,3-dihydroquinolin-4-one IUPAC Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-(3-pyridin-4-ylprop-1-ynyl)-2,3-dihydroquinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(4-pyridyl)prop-1-ynyl]-2,3-dihydroquinolin-4-one Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=NC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1CC(C(=O)C2=C1C=CC(=C2)C#CCC3=CC=NC=C3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H24N2O3S/c1-28-18-22(16-21-6-9-23(10-7-21)32(2,30)31)26(29)24-17-20(8-11-25(24)28)5-3-4-19-12-14-27-15-13-19/h6-15,17,22H,4,16,18H2,1-2H3