1-quinolin-2-ylcarbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-quinolin-2-ylcarbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(quinoline-2-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[oxo(2-quinolinyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(quinoline-2-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-quinaldoyl-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one Formula: C23H20F3N3O2 MolecularWeight: 427.41901

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=CC=C2C(F)(F)F)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20F3N3O2/c24-23(25,26)18-7-3-1-6-17(18)15-29-14-13-28(12-11-21(29)30)22(31)20-10-9-16-5-2-4-8-19(16)27-20/h1-10H,11-15H2