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

Systemtic Name: 1-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(5-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C18H21F3N2S MolecularWeight: 354.43295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21F3N2S/c1-13-6-7-16(24-13)17(23-10-3-8-22-9-11-23)14-4-2-5-15(12-14)18(19,20)21/h2,4-7,12,17,22H,3,8-11H2,1H3