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

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

Isomeric SMILES

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

InChI

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