1-[(5-bromanylthiophen-2-yl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C17H20BrFN2OS MolecularWeight: 399.320903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(S2)Br)N3CCCNCC3)F

InChI

InChI=1S/C17H20BrFN2OS/c1-22-14-4-3-12(11-13(14)19)17(15-5-6-16(18)23-15)21-9-2-7-20-8-10-21/h3-6,11,17,20H,2,7-10H2,1H3