5-[[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one

Systemtic Name: 5-[[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[[4-[(1-adamantylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[[4-[(1-adamantylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)CNC45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)CNC45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C

InChI

InChI=1S/C28H35N3O3/c1-30-23-6-4-19(11-24(23)31(2)27(30)32)17-34-25-7-5-18(12-26(25)33-3)16-29-28-13-20-8-21(14-28)10-22(9-20)15-28/h4-7,11-12,20-22,29H,8-10,13-17H2,1-3H3