3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]propanamide

Systemtic Name: 3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]propanamide Openeye Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]propanamide CAS Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-N-[4-(diethylamino)phenyl]propanamide IUPAC Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]propanamide Traditional Name: 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(diethylamino)phenyl]propionamide Formula: C18H22BrF3N4O MolecularWeight: 447.29269

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C

InChI

InChI=1S/C18H22BrF3N4O/c1-4-25(5-2)14-8-6-13(7-9-14)23-15(27)10-11-26-12(3)16(19)17(24-26)18(20,21)22/h6-9H,4-5,10-11H2,1-3H3,(H,23,27)