N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenyl-propanamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenyl-propanamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenyl-propanamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-phenylpropanamide Traditional Name: N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-phenyl-propionamide Formula: C21H22BrN3O MolecularWeight: 412.32288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)CCC3=CC=CC=C3

InChI

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