1-[(4-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-bromophenyl)-(5-fluoranyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-bromophenyl)-(5-fluoro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C19H22BrFN2O MolecularWeight: 393.293183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2O/c1-24-18-8-7-16(21)13-17(18)19(14-3-5-15(20)6-4-14)23-11-2-9-22-10-12-23/h3-8,13,19,22H,2,9-12H2,1H3