2-[6-methyl-4-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[6-methyl-4-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[6-methyl-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-5-yl]acetonitrile CAS Name: 2-[6-methyl-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidin-5-yl]acetonitrile IUPAC Name: 2-[6-methyl-4-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-6-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazino]-1H-pyrimidin-5-yl]acetonitrile Formula: C18H18F3N5O MolecularWeight: 377.36363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CC#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CC#N

InChI

InChI=1S/C18H18F3N5O/c1-12-15(5-6-22)16(27)24-17(23-12)26-9-7-25(8-10-26)14-4-2-3-13(11-14)18(19,20)21/h2-4,11H,5,7-10H2,1H3,(H,23,24,27)