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

Systemtic Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydroquinolin-4-one Openeye Name: 1-methyl-3-[(4-methylsulfonylphenyl)methyl]-6-[3-(p-tolyl)prop-1-ynyl]-2,3-dihydroquinolin-4-one CAS Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydroquinolin-4-one IUPAC Name: 1-methyl-6-[3-(4-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]-2,3-dihydroquinolin-4-one Traditional Name: 3-(4-mesylbenzyl)-1-methyl-6-[3-(p-tolyl)prop-1-ynyl]-2,3-dihydroquinolin-4-one Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(CC(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC#CC2=CC3=C(C=C2)N(CC(C3=O)CC4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C28H27NO3S/c1-20-7-9-21(10-8-20)5-4-6-22-13-16-27-26(18-22)28(30)24(19-29(27)2)17-23-11-14-25(15-12-23)33(3,31)32/h7-16,18,24H,5,17,19H2,1-3H3