2-[5-bromanyl-4-[(E)-[1-(4-cyanophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenoxy]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[5-bromanyl-4-[(E)-[1-(4-cyanophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenoxy]-N-cyclohexyl-ethanamide Openeye Name: 2-[5-bromo-4-[(E)-[1-(4-cyanophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-phenoxy]-N-cyclohexyl-acetamide CAS Name: 2-[5-bromo-4-[(E)-[1-(4-cyanophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide IUPAC Name: 2-[5-bromo-4-[(E)-[1-(4-cyanophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide Traditional Name: 2-[5-bromo-4-[(E)-[1-(4-cyanophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-phenoxy]-N-cyclohexyl-acetamide Formula: C27H27BrN4O4 MolecularWeight: 551.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC(=O)NC3CCCCC3)OC)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2Br)OCC(=O)NC3CCCCC3)OC)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27BrN4O4/c1-17-22(27(34)32(31-17)21-10-8-18(15-29)9-11-21)12-19-13-24(35-2)25(14-23(19)28)36-16-26(33)30-20-6-4-3-5-7-20/h8-14,20H,3-7,16H2,1-2H3,(H,30,33)/b22-12+