N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-ethanoylphenoxy)butanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-ethanoylphenoxy)butanamide Openeye Name: 4-(4-acetylphenoxy)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide CAS Name: 4-(4-acetylphenoxy)-N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(4-acetylphenoxy)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(4-acetylphenoxy)-N-[2-(4-bromobenzyl)pyrazol-3-yl]butyramide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O3/c1-16(27)18-6-10-20(11-7-18)29-14-2-3-22(28)25-21-12-13-24-26(21)15-17-4-8-19(23)9-5-17/h4-13H,2-3,14-15H2,1H3,(H,25,28)