3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-oxidanylidene-2-phenyl-piperazine-1-carbonitrile

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-oxidanylidene-2-phenyl-piperazine-1-carbonitrile Openeye Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-oxo-2-phenyl-piperazine-1-carbonitrile CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-oxo-2-phenyl-1-piperazinecarbonitrile IUPAC Name: 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-oxo-2-phenylpiperazine-1-carbonitrile Traditional Name: 3-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-5-keto-2-phenyl-piperazine-1-carbonitrile Formula: C21H17F6N3O2 MolecularWeight: 457.368999

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(C(N1C#N)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C(=O)NC(C(N1C#N)C2=CC=CC=C2)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H17F6N3O2/c22-20(23,24)15-6-13(7-16(8-15)21(25,26)27)10-32-11-17-19(14-4-2-1-3-5-14)30(12-28)9-18(31)29-17/h1-8,17,19H,9-11H2,(H,29,31)