N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(2-chloranyl-5-methyl-phenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-4-[(2-chloranyl-5-methyl-phenoxy)methyl]benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-5-methyl-phenoxy)methyl]benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-4-[(2-chloro-5-methyl-phenoxy)methyl]benzamide Formula: C21H21BrClN3O2 MolecularWeight: 462.76734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrClN3O2/c1-15-3-8-19(23)20(11-15)28-14-16-4-6-17(7-5-16)21(27)24-9-2-10-26-13-18(22)12-25-26/h3-8,11-13H,2,9-10,14H2,1H3,(H,24,27)