2-[3-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]propanoyl]-1,2-diazinane-1-carbonitrile

Systemtic Name: 2-[3-phenyl-2-[[3-(trifluoromethyl)phenyl]amino]propanoyl]-1,2-diazinane-1-carbonitrile Openeye Name: 2-[3-phenyl-2-[3-(trifluoromethyl)anilino]propanoyl]hexahydropyridazine-1-carbonitrile CAS Name: 2-[1-oxo-3-phenyl-2-[3-(trifluoromethyl)anilino]propyl]-1-diazinanecarbonitrile IUPAC Name: 2-[3-phenyl-2-[3-(trifluoromethyl)anilino]propanoyl]diazinane-1-carbonitrile Traditional Name: 2-[3-phenyl-2-[3-(trifluoromethyl)anilino]propanoyl]hexahydropyridazine-1-carbonitrile Formula: C21H21F3N4O MolecularWeight: 402.41285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(N(C1)C#N)C(=O)C(CC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCN(N(C1)C#N)C(=O)C(CC2=CC=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)17-9-6-10-18(14-17)26-19(13-16-7-2-1-3-8-16)20(29)28-12-5-4-11-27(28)15-25/h1-3,6-10,14,19,26H,4-5,11-13H2