2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethyloxy)-1H-quinolin-3-yl]propanenitrile

Systemtic Name: 2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-[4-oxidanylidene-6-(trifluoromethyloxy)-1H-quinolin-3-yl]propanenitrile Openeye Name: 2-(4-benzoyl-2-methyl-piperazin-1-yl)-3-oxo-3-[4-oxo-6-(trifluoromethoxy)-1H-quinolin-3-yl]propanenitrile CAS Name: 2-(4-benzoyl-2-methyl-1-piperazinyl)-3-oxo-3-[4-oxo-6-(trifluoromethoxy)-1H-quinolin-3-yl]propanenitrile IUPAC Name: 2-(4-benzoyl-2-methylpiperazin-1-yl)-3-oxo-3-[4-oxo-6-(trifluoromethoxy)-1H-quinolin-3-yl]propanenitrile Traditional Name: 2-(4-benzoyl-2-methyl-piperazino)-3-keto-3-[4-keto-6-(trifluoromethoxy)-1H-quinolin-3-yl]propionitrile Formula: C25H21F3N4O4 MolecularWeight: 498.45385

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(C#N)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21F3N4O4/c1-15-14-31(24(35)16-5-3-2-4-6-16)9-10-32(15)21(12-29)23(34)19-13-30-20-8-7-17(36-25(26,27)28)11-18(20)22(19)33/h2-8,11,13,15,21H,9-10,14H2,1H3,(H,30,33)