[2-[(4-bromanyl-2,6-dimethyl-phenyl)-(5-ethyl-3-methylsulfonyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol

Systemtic Name: [2-[(4-bromanyl-2,6-dimethyl-phenyl)-(5-ethyl-3-methylsulfonyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol Openeye Name: [2-[(4-bromo-2,6-dimethyl-phenyl)-(5-ethyl-3-methylsulfonyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol CAS Name: [2-[(4-bromo-2,6-dimethylphenyl)-(5-ethyl-3-methylsulfonyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol IUPAC Name: [2-[(4-bromo-2,6-dimethylphenyl)-(5-ethyl-3-methylsulfonyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol Traditional Name: [2-[(4-bromo-2,6-dimethyl-phenyl)-(5-ethyl-3-mesyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)S(=O)(=O)C)C(C2=C(C=C(C=C2C)Br)C)N3CC4=CC=CC=C4CC3CO

Isomeric SMILES

CCC1=C(C(=NN1)S(=O)(=O)C)C(C2=C(C=C(C=C2C)Br)C)N3CC4=CC=CC=C4CC3CO

InChI

InChI=1S/C25H30BrN3O3S/c1-5-21-23(25(28-27-21)33(4,31)32)24(22-15(2)10-19(26)11-16(22)3)29-13-18-9-7-6-8-17(18)12-20(29)14-30/h6-11,20,24,30H,5,12-14H2,1-4H3,(H,27,28)