4-[(2-bromanyl-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(2-bromanyl-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(2-bromo-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[(2-bromo-4,5-dimethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(2-bromo-4,5-dimethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(2-bromo-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]phenyl]-dimethyl-amine Formula: C22H30BrN3O2 MolecularWeight: 448.3965

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCNCC3

InChI

InChI=1S/C22H30BrN3O2/c1-25(2)17-8-6-16(7-9-17)22(26-12-5-10-24-11-13-26)18-14-20(27-3)21(28-4)15-19(18)23/h6-9,14-15,22,24H,5,10-13H2,1-4H3