(E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-tert-butylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-tert-butylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-tert-butylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]-1-(4-tert-butylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-1-(4-tert-butylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(4-tert-butylphenyl)prop-2-en-1-one Formula: C28H25BrN2O MolecularWeight: 485.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C28H25BrN2O/c1-28(2,3)23-15-12-20(13-16-23)26(32)17-14-22-19-31(25-10-5-4-6-11-25)30-27(22)21-8-7-9-24(29)18-21/h4-19H,1-3H3/b17-14+