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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C23H27BrN2O3/c1-28-18-6-7-19(24)17(15-18)14-16-8-11-26(12-9-16)13-10-22-23(27)25-20-4-2-3-5-21(20)29-22/h2-7,15-16,22H,8-14H2,1H3,(H,25,27)