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

Systemtic Name: 4-[(5-bromanyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethyl-aniline CAS Name: 4-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]-N,N-dimethylaniline Traditional Name: [4-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]phenyl]-dimethyl-amine Formula: C21H28BrN3O MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O/c1-24(2)18-8-5-16(6-9-18)21(25-13-4-11-23-12-14-25)19-15-17(22)7-10-20(19)26-3/h5-10,15,21,23H,4,11-14H2,1-3H3