N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-chloranyl-2-methyl-phenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-chloranyl-2-methyl-phenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chloro-2-methyl-phenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chloro-2-methyl-phenoxy)methyl]benzamide Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O2/c1-15-10-19(23)6-7-20(15)28-14-16-4-2-5-17(11-16)21(27)24-8-3-9-26-13-18(22)12-25-26/h2,4-7,10-13H,3,8-9,14H2,1H3,(H,24,27)