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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-fluoranyl-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(3-fluoro-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H23FN2OS MolecularWeight: 370.483523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCNCC4)F

InChI

InChI=1S/C21H23FN2OS/c1-25-19-8-7-15(13-18(19)22)21(24-11-4-9-23-10-12-24)17-14-26-20-6-3-2-5-16(17)20/h2-3,5-8,13-14,21,23H,4,9-12H2,1H3