3-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazine-1-carbonyl]benzonitrile Formula: C21H16F3N5O MolecularWeight: 411.37985

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC3=C2C=CC(=N3)C(F)(F)F)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC3=C2C=CC(=N3)C(F)(F)F)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H16F3N5O/c22-21(23,24)18-5-4-16-17(27-18)6-7-26-19(16)28-8-10-29(11-9-28)20(30)15-3-1-2-14(12-15)13-25/h1-7,12H,8-11H2