(3R,5S)-N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-N,3,5-trimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-[(4-bromanyl-1-ethyl-pyrazol-3-yl)methyl]-N,3,5-trimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-N,3,5-trimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-[(4-bromo-1-ethyl-3-pyrazolyl)methyl]-N,3,5-trimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-[(4-bromo-1-ethyl-pyrazol-3-yl)methyl]-N,3,5-trimethyl-adamantane-1-carboxamide Formula: C20H30BrN3O MolecularWeight: 408.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)CN(C)C(=O)C23CC4CC(C2)(CC(C4)(C3)C)C)Br

Isomeric SMILES

CCN1C=C(C(=N1)CN(C)C(=O)C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)Br

InChI

InChI=1S/C20H30BrN3O/c1-5-24-9-15(21)16(22-24)10-23(4)17(25)20-8-14-6-18(2,12-20)11-19(3,7-14)13-20/h9,14H,5-8,10-13H2,1-4H3/t14?,18-,19+,20?