4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

Systemtic Name: 4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Openeye Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide CAS Name: 4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide IUPAC Name: 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Traditional Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=C(C=C3)O)C)Br

InChI

InChI=1S/C21H22BrN3O2/c1-14-20(22)15(2)25(24-14)13-17-3-7-18(8-4-17)21(27)23-12-11-16-5-9-19(26)10-6-16/h3-10,26H,11-13H2,1-2H3,(H,23,27)