2-[2-[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[2-[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[2-[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]ethyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[2-[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[2-[4-(2-bromo-5-isopropoxy-benzyl)piperidino]ethyl]-4H-1,4-benzoxazin-3-one Formula: C25H31BrN2O3 MolecularWeight: 487.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C25H31BrN2O3/c1-17(2)30-20-7-8-21(26)19(16-20)15-18-9-12-28(13-10-18)14-11-24-25(29)27-22-5-3-4-6-23(22)31-24/h3-8,16-18,24H,9-15H2,1-2H3,(H,27,29)