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

Systemtic Name: 4-[(5-bromanyl-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(5-bromo-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(5-bromo-2-ethoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(5-bromo-2-ethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]phenyl]-dimethyl-amine Formula: C22H30BrN3O MolecularWeight: 432.3971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)N(C)C)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)N(C)C)N3CCCNCC3

InChI

InChI=1S/C22H30BrN3O/c1-4-27-21-11-8-18(23)16-20(21)22(26-14-5-12-24-13-15-26)17-6-9-19(10-7-17)25(2)3/h6-11,16,22,24H,4-5,12-15H2,1-3H3