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

Systemtic Name: 3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-[2-(phenylmethyl)phenyl]propanamide Openeye Name: N-(2-benzylphenyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanamide CAS Name: 3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-[2-(phenylmethyl)phenyl]propanamide IUPAC Name: N-(2-benzylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-(2-benzylphenyl)-3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propionamide Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)C)Br

InChI

InChI=1S/C21H22BrN3O/c1-15-21(22)16(2)25(24-15)13-12-20(26)23-19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,23,26)