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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O2/c1-16-4-9-21(17(2)12-16)28-15-18-5-7-19(8-6-18)22(27)24-10-3-11-26-14-20(23)13-25-26/h4-9,12-14H,3,10-11,15H2,1-2H3,(H,24,27)