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

Systemtic Name: 1-(3-methylthiophen-2-yl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(3-methylthiophene-2-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[(3-methyl-2-thiophenyl)-oxomethyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(3-methylthiophene-2-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-(3-methylthiophene-2-carbonyl)-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one Formula: C19H19F3N2O2S MolecularWeight: 396.42657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H19F3N2O2S/c1-13-7-11-27-17(13)18(26)23-8-6-16(25)24(10-9-23)12-14-4-2-3-5-15(14)19(20,21)22/h2-5,7,11H,6,8-10,12H2,1H3