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

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-piperidino-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C23H23F3N4O2 MolecularWeight: 444.44953

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

InChI

InChI=1S/C23H23F3N4O2/c1-2-30-22(32)17-9-5-4-8-16(17)20(28-30)21(31)27-18-14-15(23(24,25)26)10-11-19(18)29-12-6-3-7-13-29/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,27,31)