3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethylphenyl]-1H-pyridazin-6-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethylphenyl]-1H-pyridazin-6-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4,5-dimethyl-phenyl]-1H-pyridazin-6-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=NNC(=O)C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H21N3O3S/c1-14-11-18(19-7-8-21(25)23-22-19)12-20(15(14)2)28(26,27)24-10-9-16-5-3-4-6-17(16)13-24/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,25)