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

Systemtic Name: 2-[1,3-bis[[2-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-4-bromanyl-phenol Openeye Name: 2-[1,3-bis[[2-(dimethylamino)phenyl]methyl]hexahydropyrimidin-2-yl]-4-bromo-phenol CAS Name: 2-[1,3-bis[[2-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol IUPAC Name: 2-[1,3-bis[[2-(dimethylamino)phenyl]methyl]-1,3-diazinan-2-yl]-4-bromophenol Traditional Name: 2-[1,3-bis[2-(dimethylamino)benzyl]hexahydropyrimidin-2-yl]-4-bromo-phenol Formula: C28H35BrN4O MolecularWeight: 523.5077

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC=C1CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4N(C)C

Isomeric SMILES

CN(C)C1=CC=CC=C1CN2CCCN(C2C3=C(C=CC(=C3)Br)O)CC4=CC=CC=C4N(C)C

InChI

InChI=1S/C28H35BrN4O/c1-30(2)25-12-7-5-10-21(25)19-32-16-9-17-33(20-22-11-6-8-13-26(22)31(3)4)28(32)24-18-23(29)14-15-27(24)34/h5-8,10-15,18,28,34H,9,16-17,19-20H2,1-4H3