3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methyl-propanamide

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-2-methyl-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C22H32BrN3O MolecularWeight: 434.41298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)C(C)CN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C22H32BrN3O/c1-7-14(3)18-9-11-19(12-10-18)20(8-2)24-22(27)15(4)13-26-17(6)21(23)16(5)25-26/h9-12,14-15,20H,7-8,13H2,1-6H3,(H,24,27)