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

Systemtic Name: 2-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]-4H-1,4-benzoxazin-3-one Formula: C23H27BrN2O3 MolecularWeight: 459.37608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C23H27BrN2O3/c1-2-28-18-7-8-19(24)17(14-18)13-16-9-11-26(12-10-16)15-22-23(27)25-20-5-3-4-6-21(20)29-22/h3-8,14,16,22H,2,9-13,15H2,1H3,(H,25,27)