4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide Formula: C20H18F4N4O MolecularWeight: 406.376733

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H18F4N4O/c21-15-3-5-16(6-4-15)26-19(29)28-9-1-8-27(10-11-28)17-7-2-14(13-25)18(12-17)20(22,23)24/h2-7,12H,1,8-11H2,(H,26,29)