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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C21H30BrN3O MolecularWeight: 420.3864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=O)CCN2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C21H30BrN3O/c1-6-14(3)17-8-10-18(11-9-17)19(7-2)23-20(26)12-13-25-16(5)21(22)15(4)24-25/h8-11,14,19H,6-7,12-13H2,1-5H3,(H,23,26)