3-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

Systemtic Name: 3-(4-bromanyl-3-methyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 3-(4-bromo-3-methyl-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N-(3,4-diethoxybenzyl)propionamide Formula: C18H24BrN3O3 MolecularWeight: 410.30546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C=C(C(=N2)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C=C(C(=N2)C)Br)OCC

InChI

InChI=1S/C18H24BrN3O3/c1-4-24-16-7-6-14(10-17(16)25-5-2)11-20-18(23)8-9-22-12-15(19)13(3)21-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,23)