3-[(4-bromophenyl)methyl]-1-butyl-5-methyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-methyl-pyrazole-4-carbaldehyde Openeye Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-methyl-pyrazole-4-carbaldehyde CAS Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-methyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-[(4-bromophenyl)methyl]-1-butyl-5-methylpyrazole-4-carbaldehyde Traditional Name: 3-(4-bromobenzyl)-1-butyl-5-methyl-pyrazole-4-carbaldehyde Formula: C16H19BrN2O MolecularWeight: 335.23886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C=O)C

Isomeric SMILES

CCCCN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C=O)C

InChI

InChI=1S/C16H19BrN2O/c1-3-4-9-19-12(2)15(11-20)16(18-19)10-13-5-7-14(17)8-6-13/h5-8,11H,3-4,9-10H2,1-2H3