N-(4-cyanophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-cyanophenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-[4-(trifluoromethyl)benzyl]-1,4-diazepane-1-carboxamide Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=C(C=C2)C#N)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)18-6-2-17(3-7-18)15-27-10-1-11-28(13-12-27)20(29)26-19-8-4-16(14-25)5-9-19/h2-9H,1,10-13,15H2,(H,26,29)