(2R)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: (2R)-2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: (2R)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: (2R)-2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: (2R)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: (2R)-2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H17BrN4O3/c1-10-14(17)15(21(23)24)18-20(10)11(2)16(22)19-8-7-12-5-3-4-6-13(12)9-19/h3-6,11H,7-9H2,1-2H3/t11-/m1/s1