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

Systemtic Name: 2-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-bromo-5-methoxy-benzyl)piperidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25BrN2O3/c1-27-17-6-7-18(23)16(13-17)12-15-8-10-25(11-9-15)14-21-22(26)24-19-4-2-3-5-20(19)28-21/h2-7,13,15,21H,8-12,14H2,1H3,(H,24,26)