5-[4-[3,5-bis(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[3,5-bis(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C20H16F6N4O2 MolecularWeight: 458.357059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C#N

InChI

InChI=1S/C20H16F6N4O2/c21-19(22,23)13-7-12(8-14(9-13)20(24,25)26)17(31)29-3-5-30(6-4-29)18-15(10-27)28-16(32-18)11-1-2-11/h7-9,11H,1-6H2