4-oxidanylidene-3-propyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[4-(1-pyrazolyl)-2-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C22H18F3N5O2 MolecularWeight: 441.40583

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4C=CC=N4)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4C=CC=N4)C(F)(F)F

InChI

InChI=1S/C22H18F3N5O2/c1-2-11-30-21(32)16-7-4-3-6-15(16)19(28-30)20(31)27-18-9-8-14(29-12-5-10-26-29)13-17(18)22(23,24)25/h3-10,12-13H,2,11H2,1H3,(H,27,31)