1-[(5-bromanyl-2-methoxy-phenyl)-(furan-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(furan-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-furyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-furanyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-furyl)methyl]-1,4-diazepane Formula: C17H21BrN2O2 MolecularWeight: 365.26484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CO2)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CO2)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2O2/c1-21-15-6-5-13(18)12-14(15)17(16-4-2-11-22-16)20-9-3-7-19-8-10-20/h2,4-6,11-12,17,19H,3,7-10H2,1H3