1-[(2-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(3-fluoro-4-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)C(C2=CC=CC=C2Br)N3CCCNCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2Br)N3CCCNCC3)F

InChI

InChI=1S/C19H22BrFN2O/c1-24-18-8-7-14(13-17(18)21)19(15-5-2-3-6-16(15)20)23-11-4-9-22-10-12-23/h2-3,5-8,13,19,22H,4,9-12H2,1H3