2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol

Systemtic Name: 2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-4-chloranyl-phenol Openeye Name: 2-[1,3-bis[(4-dimethylaminophenyl)methyl]hexahydropyrimidin-2-yl]-4-chloro-phenol CAS Name: 2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-4-chlorophenol IUPAC Name: 2-[1,3-bis[(4-dimethylaminophenyl)methyl]-1,3-diazinan-2-yl]-4-chlorophenol Traditional Name: 2-[1,3-bis[4-(dimethylamino)benzyl]hexahydropyrimidin-2-yl]-4-chloro-phenol Formula: C28H35ClN4O MolecularWeight: 479.0567

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)Cl)O)CC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCCN(C2C3=C(C=CC(=C3)Cl)O)CC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C28H35ClN4O/c1-30(2)24-11-6-21(7-12-24)19-32-16-5-17-33(20-22-8-13-25(14-9-22)31(3)4)28(32)26-18-23(29)10-15-27(26)34/h6-15,18,28,34H,5,16-17,19-20H2,1-4H3