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

Systemtic Name: 4-[[4-[(2-bromanyl-5-ethoxy-phenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-1,3-diazinan-2-one Openeye Name: 4-[[4-[(2-bromo-5-ethoxy-phenyl)methyl]-1-piperidyl]methyl]-1-cyclohexyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]-1-piperidinyl]methyl]-1-cyclohexyl-1,3-diazinan-2-one IUPAC Name: 4-[[4-[(2-bromo-5-ethoxyphenyl)methyl]piperidin-1-yl]methyl]-1-cyclohexyl-1,3-diazinan-2-one Traditional Name: 4-[[4-(2-bromo-5-ethoxy-benzyl)piperidino]methyl]-1-cyclohexyl-hexahydropyrimidin-2-one Formula: C25H38BrN3O2 MolecularWeight: 492.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)C4CCCCC4

Isomeric SMILES

CCOC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)C4CCCCC4

InChI

InChI=1S/C25H38BrN3O2/c1-2-31-23-8-9-24(26)20(17-23)16-19-10-13-28(14-11-19)18-21-12-15-29(25(30)27-21)22-6-4-3-5-7-22/h8-9,17,19,21-22H,2-7,10-16,18H2,1H3,(H,27,30)