3,4-dihydro-1H-isoquinolin-2-yl-(4-iodanyl-1-methyl-pyrazol-3-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-iodanyl-1-methyl-pyrazol-3-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methyl-pyrazol-3-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methyl-3-pyrazolyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methyl-pyrazol-3-yl)methanone Formula: C14H14IN3O MolecularWeight: 367.18493

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCC3=CC=CC=C3C2)I

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCC3=CC=CC=C3C2)I

InChI

InChI=1S/C14H14IN3O/c1-17-9-12(15)13(16-17)14(19)18-7-6-10-4-2-3-5-11(10)8-18/h2-5,9H,6-8H2,1H3