1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCC3CCCCC3C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O3/c1-11-16(20(22)23)12(2)19(17-11)10-15(21)18-8-7-13-5-3-4-6-14(13)9-18/h13-14H,3-10H2,1-2H3/t13-,14-/m1/s1