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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C17H21FN2OS MolecularWeight: 320.424843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCNCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CS2)N3CCCNCC3)F

InChI

InChI=1S/C17H21FN2OS/c1-21-15-6-5-13(12-14(15)18)17(16-4-2-11-22-16)20-9-3-7-19-8-10-20/h2,4-6,11-12,17,19H,3,7-10H2,1H3