N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide Formula: C22H24BrN3O2 MolecularWeight: 442.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC(=C2)C(=O)NCCCN3C=C(C=N3)Br)C

InChI

InChI=1S/C22H24BrN3O2/c1-16-7-8-21(17(2)11-16)28-15-18-5-3-6-19(12-18)22(27)24-9-4-10-26-14-20(23)13-25-26/h3,5-8,11-14H,4,9-10,15H2,1-2H3,(H,24,27)