3-bromanyl-5-methoxy-4-propoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: 3-bromanyl-5-methoxy-4-propoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-bromo-5-methoxy-4-propoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC=C2CN3C=CC=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=CC=CC=C2CN3C=CC=N3)OC

InChI

InChI=1S/C21H22BrN3O3/c1-3-11-28-20-17(22)12-16(13-19(20)27-2)21(26)24-18-8-5-4-7-15(18)14-25-10-6-9-23-25/h4-10,12-13H,3,11,14H2,1-2H3,(H,24,26)