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

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluoro-4-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-fluoro-4-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H23FN2OS MolecularWeight: 334.451423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)F)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)F)N3CCCNCC3

InChI

InChI=1S/C18H23FN2OS/c1-13-4-7-17(23-13)18(21-10-3-8-20-9-11-21)14-5-6-16(22-2)15(19)12-14/h4-7,12,18,20H,3,8-11H2,1-2H3