2-[3-phenyl-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]-1,2-diazinane-1-carbonitrile

Systemtic Name: 2-[3-phenyl-2-[[4-(trifluoromethyl)phenyl]amino]propanoyl]-1,2-diazinane-1-carbonitrile Openeye Name: 2-[3-phenyl-2-[4-(trifluoromethyl)anilino]propanoyl]hexahydropyridazine-1-carbonitrile CAS Name: 2-[1-oxo-3-phenyl-2-[4-(trifluoromethyl)anilino]propyl]-1-diazinanecarbonitrile IUPAC Name: 2-[3-phenyl-2-[4-(trifluoromethyl)anilino]propanoyl]diazinane-1-carbonitrile Traditional Name: 2-[3-phenyl-2-[4-(trifluoromethyl)anilino]propanoyl]hexahydropyridazine-1-carbonitrile Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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