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

Systemtic Name: 3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]propanamide Openeye Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]propanamide CAS Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[(3,4-diethoxyphenyl)methyl]propanamide IUPAC Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]propanamide Traditional Name: 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3,4-diethoxybenzyl)propionamide Formula: C21H25BrF3N3O3 MolecularWeight: 504.34071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)OCC

InChI

InChI=1S/C21H25BrF3N3O3/c1-3-30-15-8-5-13(11-16(15)31-4-2)12-26-17(29)9-10-28-19(14-6-7-14)18(22)20(27-28)21(23,24)25/h5,8,11,14H,3-4,6-7,9-10,12H2,1-2H3,(H,26,29)