N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethyl-phenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethyl-phenoxy)methyl]benzamide Formula: C22H23BrClN3O2 MolecularWeight: 476.79392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=CC=C(C=C2)C(=O)NCCCN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=CC=C(C=C2)C(=O)NCCCN3C=C(C=N3)Br

InChI

InChI=1S/C22H23BrClN3O2/c1-15-10-20(11-16(2)21(15)24)29-14-17-4-6-18(7-5-17)22(28)25-8-3-9-27-13-19(23)12-26-27/h4-7,10-13H,3,8-9,14H2,1-2H3,(H,25,28)