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

Systemtic Name: 4-[[3-[(2-bromanyl-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one Openeye Name: 1-benzyl-4-[[3-[(2-bromo-5-methoxy-phenyl)methyl]pyrrolidin-1-yl]methyl]hexahydropyrimidin-2-one CAS Name: 4-[[3-[(2-bromo-5-methoxyphenyl)methyl]-1-pyrrolidinyl]methyl]-1-(phenylmethyl)-1,3-diazinan-2-one IUPAC Name: 1-benzyl-4-[[3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-diazinan-2-one Traditional Name: 1-benzyl-4-[[3-(2-bromo-5-methoxy-benzyl)pyrrolidino]methyl]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(C2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(C2)CC3CCN(C(=O)N3)CC4=CC=CC=C4

InChI

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