3-[(2-bromanyl-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 3-[(2-bromanyl-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[(2-bromo-4,5-dimethoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 3-[(2-bromo-4,5-dimethoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 3-[(2-bromo-4,5-dimethoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4)Br)OC

InChI

InChI=1S/C23H26BrN3O2/c1-28-21-13-18(19(24)14-22(21)29-2)23(27-10-5-8-25-9-11-27)17-12-16-6-3-4-7-20(16)26-15-17/h3-4,6-7,12-15,23,25H,5,8-11H2,1-2H3