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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C19H23F3N2S MolecularWeight: 368.45953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23F3N2S/c1-2-16-7-8-17(25-16)18(24-11-4-9-23-10-12-24)14-5-3-6-15(13-14)19(20,21)22/h3,5-8,13,18,23H,2,4,9-12H2,1H3