(3,5-dimethylpyrazol-1-yl)-[(1R,4S)-3-iodanyl-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone

Systemtic Name: (3,5-dimethylpyrazol-1-yl)-[(1R,4S)-3-iodanyl-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone Openeye Name: (3,5-dimethylpyrazol-1-yl)-[(1R,4S)-3-iodo-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone CAS Name: (3,5-dimethyl-1-pyrazolyl)-[(1R,4S)-3-iodo-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone IUPAC Name: (3,5-dimethylpyrazol-1-yl)-[(1R,4S)-3-iodo-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone Traditional Name: (3,5-dimethylpyrazol-1-yl)-[(1R,4S)-3-iodo-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]methanone Formula: C20H19IN2O MolecularWeight: 430.28213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=C(C3CCC2C=C3C4=CC=CC=C4)I)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=C([C@H]3CC[C@@H]2C=C3C4=CC=CC=C4)I)C

InChI

InChI=1S/C20H19IN2O/c1-12-10-13(2)23(22-12)20(24)18-15-8-9-16(19(18)21)17(11-15)14-6-4-3-5-7-14/h3-7,10-11,15-16H,8-9H2,1-2H3/t15-,16+/m1/s1