2-[4-bromanyl-2-[(E)-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-bromanyl-2-[(E)-[3-methyl-1-(3-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-bromo-2-[(E)-[3-methyl-1-(m-tolyl)-5-oxo-pyrazol-4-ylidene]methyl]phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-bromo-2-[(E)-[3-methyl-1-(3-methylphenyl)-5-oxo-4-pyrazolylidene]methyl]phenoxy]-N-phenylacetamide IUPAC Name: 2-[4-bromo-2-[(E)-[3-methyl-1-(3-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]-N-phenylacetamide Traditional Name: 2-[4-bromo-2-[(E)-[5-keto-3-methyl-1-(m-tolyl)-2-pyrazolin-4-ylidene]methyl]phenoxy]-N-phenyl-acetamide Formula: C26H22BrN3O3 MolecularWeight: 504.37518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4)C(=N2)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=CC=C4)/C(=N2)C

InChI

InChI=1S/C26H22BrN3O3/c1-17-7-6-10-22(13-17)30-26(32)23(18(2)29-30)15-19-14-20(27)11-12-24(19)33-16-25(31)28-21-8-4-3-5-9-21/h3-15H,16H2,1-2H3,(H,28,31)/b23-15+