1-[(5-ethylthiophen-2-yl)-(3-fluorophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(3-fluorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-thienyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(3-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-thienyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C18H23FN2S MolecularWeight: 318.452023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)F)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)F)N3CCCNCC3

InChI

InChI=1S/C18H23FN2S/c1-2-16-7-8-17(22-16)18(14-5-3-6-15(19)13-14)21-11-4-9-20-10-12-21/h3,5-8,13,18,20H,2,4,9-12H2,1H3