2-azanyl-N-[2-piperazin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide

Systemtic Name: 2-azanyl-N-[2-piperazin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide Openeye Name: 2-amino-N-[2-piperazin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide CAS Name: 2-amino-N-[2-(1-piperazinyl)-2-[2-(trifluoromethyl)-5-pyrimidinyl]ethyl]-5-quinolinecarboxamide IUPAC Name: 2-amino-N-[2-piperazin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide Traditional Name: 2-amino-N-[2-piperazino-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide Formula: C21H22F3N7O MolecularWeight: 445.44089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CNC(=O)C2=C3C=CC(=NC3=CC=C2)N)C4=CN=C(N=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)C(CNC(=O)C2=C3C=CC(=NC3=CC=C2)N)C4=CN=C(N=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N7O/c22-21(23,24)20-28-10-13(11-29-20)17(31-8-6-26-7-9-31)12-27-19(32)15-2-1-3-16-14(15)4-5-18(25)30-16/h1-5,10-11,17,26H,6-9,12H2,(H2,25,30)(H,27,32)