(E)-1-(2-bromophenyl)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(2-bromophenyl)-3-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(2-bromophenyl)prop-2-en-1-one CAS Name: (E)-1-(2-bromophenyl)-3-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-(2-bromophenyl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-1-(2-bromophenyl)prop-2-en-1-one Formula: C21H19BrN2O MolecularWeight: 395.29236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=CC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H19BrN2O/c1-15-18(12-13-21(25)19-10-6-7-11-20(19)22)16(2)24(23-15)14-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3/b13-12+