N-methyl-4-oxidanylidene-3-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-[[(3R)-3-(trifluoromethyl)-1-piperidyl]methyl]phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-[[(3R)-3-(trifluoromethyl)-1-piperidinyl]methyl]-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[(3R)-3-(trifluoromethyl)piperidino]methyl]phthalazine-1-carboxamide Formula: C17H19F3N4O2 MolecularWeight: 368.35357

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCCC(C3)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCC[C@H](C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2/c1-21-15(25)14-12-6-2-3-7-13(12)16(26)24(22-14)10-23-8-4-5-11(9-23)17(18,19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,21,25)/t11-/m1/s1