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

Systemtic Name: 4-[[4-[(2-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidin-1-yl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[4-[(2-bromo-5-isopropoxy-phenyl)methyl]-1-piperidyl]methyl]hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]-1-piperidinyl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[4-[(2-bromo-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[4-(2-bromo-5-isopropoxy-benzyl)piperidino]methyl]hexahydropyrimidin-2-one Formula: C27H36BrN3O2 MolecularWeight: 514.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36BrN3O2/c1-20(2)33-25-8-9-26(28)23(17-25)16-21-10-13-30(14-11-21)19-24-12-15-31(27(32)29-24)18-22-6-4-3-5-7-22/h3-9,17,20-21,24H,10-16,18-19H2,1-2H3,(H,29,32)