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

Systemtic Name: 4-[2-[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]ethyl]-1-phenyl-1,3-diazinan-2-one Openeye Name: 4-[2-[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]ethyl]-1-phenyl-hexahydropyrimidin-2-one CAS Name: 4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]ethyl]-1-phenyl-1,3-diazinan-2-one IUPAC Name: 4-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]ethyl]-1-phenyl-1,3-diazinan-2-one Traditional Name: 4-[2-[4-(2-bromo-5-methoxy-benzyl)piperidino]ethyl]-1-phenyl-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)CCC3CCN(C(=O)N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3CCN(C(=O)N3)C4=CC=CC=C4

InChI

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