N-[[3-(bromomethyl)-5-cyano-phenyl]methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[[3-(bromomethyl)-5-cyano-phenyl]methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-2-phenoxy-ethanamide Openeye Name: N-[[3-(bromomethyl)-5-cyano-phenyl]methyl]-N-(1-isobutyl-5-methyl-pyrazol-4-yl)-2-phenoxy-acetamide CAS Name: N-[[3-(bromomethyl)-5-cyanophenyl]methyl]-N-[5-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-phenoxyacetamide IUPAC Name: N-[[3-(bromomethyl)-5-cyanophenyl]methyl]-N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-2-phenoxyacetamide Traditional Name: N-[3-(bromomethyl)-5-cyano-benzyl]-N-(1-isobutyl-5-methyl-pyrazol-4-yl)-2-phenoxy-acetamide Formula: C25H27BrN4O2 MolecularWeight: 495.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(C)C)N(CC2=CC(=CC(=C2)C#N)CBr)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1CC(C)C)N(CC2=CC(=CC(=C2)C#N)CBr)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN4O2/c1-18(2)15-30-19(3)24(14-28-30)29(25(31)17-32-23-7-5-4-6-8-23)16-22-10-20(12-26)9-21(11-22)13-27/h4-11,14,18H,12,15-17H2,1-3H3