3-[[2-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine

Systemtic Name: 3-[[2-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Openeye Name: 3-[2-[(4-bromo-2-fluoro-phenoxy)methyl]-3-methyl-benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine CAS Name: 3-[[2-[(4-bromo-2-fluorophenoxy)methyl]-3-methyl-4-benzofuranyl]oxy]-N-(3-pyridinylmethyl)-1-propanamine IUPAC Name: 3-[[2-[(4-bromo-2-fluorophenoxy)methyl]-3-methyl-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine Traditional Name: 3-[2-[(4-bromo-2-fluoro-phenoxy)methyl]-3-methyl-benzofuran-4-yl]oxypropyl-(3-pyridylmethyl)amine Formula: C25H24BrFN2O3 MolecularWeight: 499.372063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C25H24BrFN2O3/c1-17-24(16-31-21-9-8-19(26)13-20(21)27)32-23-7-2-6-22(25(17)23)30-12-4-11-29-15-18-5-3-10-28-14-18/h2-3,5-10,13-14,29H,4,11-12,15-16H2,1H3