1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodo-3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)ethanone Formula: C16H18IN3O MolecularWeight: 395.23809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)I

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC3=CC=CC=C3C2)C)I

InChI

InChI=1S/C16H18IN3O/c1-11-16(17)12(2)20(18-11)10-15(21)19-8-7-13-5-3-4-6-14(13)9-19/h3-6H,7-10H2,1-2H3