4-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carbaldehyde

Systemtic Name: 4-[[2-(2-aminophenyl)-3-bromanyl-1-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carbaldehyde Openeye Name: 4-[[2-(2-aminophenyl)-3-bromo-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carbaldehyde CAS Name: 4-[[2-(2-aminophenyl)-3-bromo-5-benzofuranyl]methyl]-2-butyl-5-ethyl-3-pyrazolecarboxaldehyde IUPAC Name: 4-[[2-(2-aminophenyl)-3-bromo-1-benzofuran-5-yl]methyl]-2-butyl-5-ethylpyrazole-3-carbaldehyde Traditional Name: 4-[[2-(2-aminophenyl)-3-bromo-benzofuran-5-yl]methyl]-2-butyl-5-ethyl-pyrazole-3-carbaldehyde Formula: C25H26BrN3O2 MolecularWeight: 480.39684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC)CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4N)C=O

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC)CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4N)C=O

InChI

InChI=1S/C25H26BrN3O2/c1-3-5-12-29-22(15-30)18(21(4-2)28-29)13-16-10-11-23-19(14-16)24(26)25(31-23)17-8-6-7-9-20(17)27/h6-11,14-15H,3-5,12-13,27H2,1-2H3