1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenyl)ethanone

Systemtic Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenyl)ethanone Openeye Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenyl)ethanone CAS Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-2-(4-fluorophenyl)ethanone IUPAC Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-2-(4-fluorophenyl)ethanone Traditional Name: 1-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-2-(4-fluorophenyl)ethanone Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CC2=CC=C(C=C2)F)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)CC2=CC=C(C=C2)F)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22FN3O3S/c1-15-22(30(28,29)25-12-11-18-5-3-4-6-19(18)14-25)16(2)26(24-15)21(27)13-17-7-9-20(23)10-8-17/h3-10H,11-14H2,1-2H3