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

Systemtic Name: 3-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Openeye Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propanamide CAS Name: 3-(4-bromo-3-methyl-1-pyrazolyl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide IUPAC Name: 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]propanamide Traditional Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[1-(4-sec-butylphenyl)propyl]propionamide Formula: C20H28BrN3O MolecularWeight: 406.35982

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN3O/c1-5-14(3)16-7-9-17(10-8-16)19(6-2)22-20(25)11-12-24-13-18(21)15(4)23-24/h7-10,13-14,19H,5-6,11-12H2,1-4H3,(H,22,25)