2-[2-bromanyl-4-[(E)-(2,5-diphenyl-3H-pyrazol-4-ylidene)methyl]-6-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[2-bromanyl-4-[(E)-(2,5-diphenyl-3H-pyrazol-4-ylidene)methyl]-6-methoxy-phenoxy]ethanamide Openeye Name: 2-[2-bromo-4-[(E)-(2,5-diphenyl-3H-pyrazol-4-ylidene)methyl]-6-methoxy-phenoxy]acetamide CAS Name: 2-[2-bromo-4-[(E)-(2,5-diphenyl-3H-pyrazol-4-ylidene)methyl]-6-methoxyphenoxy]acetamide IUPAC Name: 2-[2-bromo-4-[(E)-(2,5-diphenyl-3H-pyrazol-4-ylidene)methyl]-6-methoxyphenoxy]acetamide Traditional Name: 2-[2-bromo-4-[(E)-(1,3-diphenyl-2-pyrazolin-4-ylidene)methyl]-6-methoxy-phenoxy]acetamide Formula: C25H22BrN3O3 MolecularWeight: 492.36448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC(=O)N

InChI

InChI=1S/C25H22BrN3O3/c1-31-22-14-17(13-21(26)25(22)32-16-23(27)30)12-19-15-29(20-10-6-3-7-11-20)28-24(19)18-8-4-2-5-9-18/h2-14H,15-16H2,1H3,(H2,27,30)/b19-12+