4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one

Systemtic Name: 4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Openeye Name: 4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one CAS Name: 4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]-1-phthalazinone IUPAC Name: 4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Traditional Name: 4-(1H-pyrazol-5-ylamino)-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one Formula: C18H12F3N5O MolecularWeight: 371.31599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)NC4=CC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)NC4=CC=NN4

InChI

InChI=1S/C18H12F3N5O/c19-18(20,21)11-5-7-12(8-6-11)26-17(27)14-4-2-1-3-13(14)16(25-26)23-15-9-10-22-24-15/h1-10H,(H2,22,23,24,25)