(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(5-methyl-1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(5-methyl-1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(5-methyl-1-phenyl-pyrazol-4-yl)prop-2-en-1-one Formula: C20H17BrN2O3 MolecularWeight: 413.26458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)C=CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H17BrN2O3/c1-13-16(12-22-23(13)15-6-4-3-5-7-15)18(24)9-8-14-10-17(21)20(25)19(11-14)26-2/h3-12,25H,1-2H3/b9-8+