N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide Openeye Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide CAS Name: N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-5-[(3,4-dimethylphenoxy)methyl]-2-furancarboxamide IUPAC Name: N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide Traditional Name: N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-5-[(3,4-dimethylphenoxy)methyl]-2-furamide Formula: C22H26BrN3O3 MolecularWeight: 460.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NCCCN3C(=C(C(=N3)C)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC=C(O2)C(=O)NCCCN3C(=C(C(=N3)C)Br)C)C

InChI

InChI=1S/C22H26BrN3O3/c1-14-6-7-18(12-15(14)2)28-13-19-8-9-20(29-19)22(27)24-10-5-11-26-17(4)21(23)16(3)25-26/h6-9,12H,5,10-11,13H2,1-4H3,(H,24,27)