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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 3-[(5-bromo-2-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C22H24BrN3O MolecularWeight: 426.34946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O/c1-27-21-8-7-18(23)14-19(21)22(26-11-4-9-24-10-12-26)17-13-16-5-2-3-6-20(16)25-15-17/h2-3,5-8,13-15,22,24H,4,9-12H2,1H3