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

Systemtic Name: 4-[[4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidin-1-yl]methyl]-1-phenyl-1,3-diazinan-2-one Openeye Name: 4-[[4-[(2-bromo-5-methoxy-phenyl)methyl]-1-piperidyl]methyl]-1-phenyl-hexahydropyrimidin-2-one CAS Name: 4-[[4-[(2-bromo-5-methoxyphenyl)methyl]-1-piperidinyl]methyl]-1-phenyl-1,3-diazinan-2-one IUPAC Name: 4-[[4-[(2-bromo-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1-phenyl-1,3-diazinan-2-one Traditional Name: 4-[[4-(2-bromo-5-methoxy-benzyl)piperidino]methyl]-1-phenyl-hexahydropyrimidin-2-one Formula: C24H30BrN3O2 MolecularWeight: 472.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrN3O2/c1-30-22-7-8-23(25)19(16-22)15-18-9-12-27(13-10-18)17-20-11-14-28(24(29)26-20)21-5-3-2-4-6-21/h2-8,16,18,20H,9-15,17H2,1H3,(H,26,29)