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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C17H21FN2OS MolecularWeight: 320.424843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCNCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CSC=C2)N3CCCNCC3)F

InChI

InChI=1S/C17H21FN2OS/c1-21-16-4-3-13(11-15(16)18)17(14-5-10-22-12-14)20-8-2-6-19-7-9-20/h3-5,10-12,17,19H,2,6-9H2,1H3