3-butyl-4-oxidanylidene-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methyleneamino]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[(Z)-[3-(trifluoromethyl)benzylidene]amino]phthalazine-1-carboxamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O2/c1-2-3-11-28-20(30)17-10-5-4-9-16(17)18(27-28)19(29)26-25-13-14-7-6-8-15(12-14)21(22,23)24/h4-10,12-13H,2-3,11H2,1H3,(H,26,29)/b25-13-