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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C18H20ClF3N2S MolecularWeight: 388.87801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClF3N2S/c1-12-3-6-16(25-12)17(24-9-2-7-23-8-10-24)14-11-13(18(20,21)22)4-5-15(14)19/h3-6,11,17,23H,2,7-10H2,1H3