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

Systemtic Name: 4-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]methyl]hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[4-(2-bromo-5-methoxy-benzyl)piperidino]methyl]hexahydropyrimidin-2-one Formula: C25H32BrN3O2 MolecularWeight: 486.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32BrN3O2/c1-31-23-7-8-24(26)21(16-23)15-19-9-12-28(13-10-19)18-22-11-14-29(25(30)27-22)17-20-5-3-2-4-6-20/h2-8,16,19,22H,9-15,17-18H2,1H3,(H,27,30)