(3R,5S)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-3,5-dimethyl-adamantane-1-carboxamide

Systemtic Name: (3R,5S)-N-[(4-bromanyl-2-methyl-pyrazol-3-yl)methyl]-3,5-dimethyl-adamantane-1-carboxamide Openeye Name: (3R,5S)-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-3,5-dimethyl-adamantane-1-carboxamide CAS Name: (3R,5S)-N-[(4-bromo-2-methyl-3-pyrazolyl)methyl]-3,5-dimethyl-1-adamantanecarboxamide IUPAC Name: (3R,5S)-N-[(4-bromo-2-methylpyrazol-3-yl)methyl]-3,5-dimethyladamantane-1-carboxamide Traditional Name: (3R,5S)-N-[(4-bromo-2-methyl-pyrazol-3-yl)methyl]-3,5-dimethyl-adamantane-1-carboxamide Formula: C18H26BrN3O MolecularWeight: 380.32254

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=C(C=NN4C)Br)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCC4=C(C=NN4C)Br)C

InChI

InChI=1S/C18H26BrN3O/c1-16-4-12-5-17(2,9-16)11-18(6-12,10-16)15(23)20-8-14-13(19)7-21-22(14)3/h7,12H,4-6,8-11H2,1-3H3,(H,20,23)/t12?,16-,17+,18?