4-(3-bromanylphenoxy)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide

Systemtic Name: 4-(3-bromanylphenoxy)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide Openeye Name: 4-(3-bromophenoxy)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide CAS Name: 4-(3-bromophenoxy)-N-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]phenyl]butanamide IUPAC Name: 4-(3-bromophenoxy)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butanamide Traditional Name: 4-(3-bromophenoxy)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]butyramide Formula: C22H23BrN4O3 MolecularWeight: 471.34702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCCOC2=CC(=CC=C2)Br)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCCOC2=CC(=CC=C2)Br)N3C=CC=N3

InChI

InChI=1S/C22H23BrN4O3/c1-16(27-12-5-11-24-27)22(29)26-19-8-3-7-18(15-19)25-21(28)10-4-13-30-20-9-2-6-17(23)14-20/h2-3,5-9,11-12,14-16H,4,10,13H2,1H3,(H,25,28)(H,26,29)