4-(4-chlorophenyl)carbonyl-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-chlorophenyl)carbonyl-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H19ClF3N3O2 MolecularWeight: 425.83197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF3N3O2/c21-16-6-2-14(3-7-16)18(28)26-10-1-11-27(13-12-26)19(29)25-17-8-4-15(5-9-17)20(22,23)24/h2-9H,1,10-13H2,(H,25,29)