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

Systemtic Name: 4-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]hexahydropyrimidin-2-one Formula: C26H34BrN3O2 MolecularWeight: 500.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34BrN3O2/c1-2-32-24-8-9-25(27)22(17-24)16-20-10-13-29(14-11-20)19-23-12-15-30(26(31)28-23)18-21-6-4-3-5-7-21/h3-9,17,20,23H,2,10-16,18-19H2,1H3,(H,28,31)