N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-chloranylphenoxy)methyl]-4-methoxy-benzamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-3-[(4-chloranylphenoxy)methyl]-4-methoxy-benzamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxy-benzamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxy-benzamide Formula: C21H21BrClN3O3 MolecularWeight: 478.76674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCN2C=C(C=N2)Br)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCN2C=C(C=N2)Br)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21BrClN3O3/c1-28-20-8-3-15(11-16(20)14-29-19-6-4-18(23)5-7-19)21(27)24-9-2-10-26-13-17(22)12-25-26/h3-8,11-13H,2,9-10,14H2,1H3,(H,24,27)