N-[(5-azanyl-2-methoxy-phenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-[(5-azanyl-2-methoxy-phenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-[(5-amino-2-methoxy-phenyl)methyl]-2-benzhydryl-quinuclidin-3-amine CAS Name: N-[(5-amino-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-[(5-amino-2-methoxyphenyl)methyl]-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (5-amino-2-methoxy-benzyl)-(2-benzhydrylquinuclidin-3-yl)amine Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

Isomeric SMILES

COC1=C(C=C(C=C1)N)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

InChI

InChI=1S/C28H33N3O/c1-32-25-13-12-24(29)18-23(25)19-30-27-22-14-16-31(17-15-22)28(27)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,22,26-28,30H,14-17,19,29H2,1H3