4-bromanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-ethyl-pyrazole-3-carboxamide Formula: C14H22BrN3O MolecularWeight: 328.24798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)NC2CCCC(C2C)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)N[C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C14H22BrN3O/c1-4-18-13(11(15)8-16-18)14(19)17-12-7-5-6-9(2)10(12)3/h8-10,12H,4-7H2,1-3H3,(H,17,19)/t9-,10+,12+/m1/s1