1-[(5-bromanyl-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C20H24BrFN2O MolecularWeight: 407.319763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrFN2O/c1-2-25-19-8-7-16(21)14-18(19)20(15-5-3-6-17(22)13-15)24-11-4-9-23-10-12-24/h3,5-8,13-14,20,23H,2,4,9-12H2,1H3