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

Systemtic Name: 4-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]-N,N-dimethylaniline Traditional Name: [4-[1,4-diazepan-1-yl-(3-phenoxyphenyl)methyl]phenyl]-dimethyl-amine Formula: C26H31N3O MolecularWeight: 401.54384

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C26H31N3O/c1-28(2)23-14-12-21(13-15-23)26(29-18-7-16-27-17-19-29)22-8-6-11-25(20-22)30-24-9-4-3-5-10-24/h3-6,8-15,20,26-27H,7,16-19H2,1-2H3