4-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(4-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl-(4-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(4-benzoxyphenyl)-(1,4-diazepan-1-yl)methyl]phenyl]-dimethyl-amine Formula: C27H33N3O MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C27H33N3O/c1-29(2)25-13-9-23(10-14-25)27(30-19-6-17-28-18-20-30)24-11-15-26(16-12-24)31-21-22-7-4-3-5-8-22/h3-5,7-16,27-28H,6,17-21H2,1-2H3