3-methyl-4-oxidanylidene-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-piperidino-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

InChI

InChI=1S/C22H21F3N4O2/c1-28-21(31)16-8-4-3-7-15(16)19(27-28)20(30)26-17-13-14(22(23,24)25)9-10-18(17)29-11-5-2-6-12-29/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,26,30)