2-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol

Systemtic Name: 2-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol Openeye Name: 2-[1,3-bis[(2-methoxyphenyl)methyl]hexahydropyrimidin-2-yl]-4-bromo-phenol CAS Name: 2-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromophenol IUPAC Name: 2-[1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazinan-2-yl]-4-bromophenol Traditional Name: 2-[1,3-bis(o-anisyl)hexahydropyrimidin-2-yl]-4-bromo-phenol Formula: C26H29BrN2O3 MolecularWeight: 497.42406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=CC=C1CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4OC

InChI

InChI=1S/C26H29BrN2O3/c1-31-24-10-5-3-8-19(24)17-28-14-7-15-29(18-20-9-4-6-11-25(20)32-2)26(28)22-16-21(27)12-13-23(22)30/h3-6,8-13,16,26,30H,7,14-15,17-18H2,1-2H3