N-[3-(4-bromanylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

Systemtic Name: N-[3-(4-bromanylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide Openeye Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-[[4-(1-methyl-1-phenyl-ethyl)phenoxy]methyl]furan-2-carboxamide CAS Name: N-[3-(4-bromo-1-pyrazolyl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-2-furancarboxamide IUPAC Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide Traditional Name: N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(4-cumylphenoxy)methyl]-2-furamide Formula: C27H28BrN3O3 MolecularWeight: 522.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)NCCCN4C=C(C=N4)Br

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)NCCCN4C=C(C=N4)Br

InChI

InChI=1S/C27H28BrN3O3/c1-27(2,20-7-4-3-5-8-20)21-9-11-23(12-10-21)33-19-24-13-14-25(34-24)26(32)29-15-6-16-31-18-22(28)17-30-31/h3-5,7-14,17-18H,6,15-16,19H2,1-2H3,(H,29,32)