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

Systemtic Name: 4-[[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-1-cyclohexyl-1,3-diazinan-2-one Openeye Name: 4-[[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-1-cyclohexyl-hexahydropyrimidin-2-one CAS Name: 4-[[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]methyl]-1-cyclohexyl-1,3-diazinan-2-one IUPAC Name: 4-[[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1-cyclohexyl-1,3-diazinan-2-one Traditional Name: 4-[[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]methyl]-1-cyclohexyl-hexahydropyrimidin-2-one Formula: C23H34BrN3O2 MolecularWeight: 464.43896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3CCN(C(=O)N3)C4CCCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3CCN(C(=O)N3)C4CCCCC4

InChI

InChI=1S/C23H34BrN3O2/c1-29-21-7-8-22(24)18(14-21)13-17-9-11-26(15-17)16-19-10-12-27(23(28)25-19)20-5-3-2-4-6-20/h7-8,14,17,19-20H,2-6,9-13,15-16H2,1H3,(H,25,28)