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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-propanamide Openeye Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]-2-methyl-propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[(3,4-diethoxyphenyl)methyl]-2-methylpropanamide IUPAC Name: 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]-2-methylpropanamide Traditional Name: 3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(3,4-diethoxybenzyl)-2-methyl-propionamide Formula: C20H28BrN3O3 MolecularWeight: 438.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C(C)CN2C(=C(C(=N2)C)Br)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C(C)CN2C(=C(C(=N2)C)Br)C)OCC

InChI

InChI=1S/C20H28BrN3O3/c1-6-26-17-9-8-16(10-18(17)27-7-2)11-22-20(25)13(3)12-24-15(5)19(21)14(4)23-24/h8-10,13H,6-7,11-12H2,1-5H3,(H,22,25)