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

Systemtic Name: 2-[[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]-4-methyl-1,4-benzoxazin-3-one CAS Name: 2-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-4-methyl-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-bromo-5-isopropoxy-benzyl)piperidino]methyl]-4-methyl-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)CC3C(=O)N(C4=CC=CC=C4O3)C

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3C(=O)N(C4=CC=CC=C4O3)C

InChI

InChI=1S/C25H31BrN2O3/c1-17(2)30-20-8-9-21(26)19(15-20)14-18-10-12-28(13-11-18)16-24-25(29)27(3)22-6-4-5-7-23(22)31-24/h4-9,15,17-18,24H,10-14,16H2,1-3H3