4-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(3-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl-(3-phenylmethoxyphenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(3-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(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

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

InChI

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