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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[2-propoxy-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[2-propoxy-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]phthalazine-1-carboxamide Formula: C20H18F3N3O3 MolecularWeight: 405.37043

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H18F3N3O3/c1-3-10-29-16-9-8-12(20(21,22)23)11-15(16)24-18(27)17-13-6-4-5-7-14(13)19(28)26(2)25-17/h4-9,11H,3,10H2,1-2H3,(H,24,27)