N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]-4-(trifluoromethyl)benzamide Formula: C21H14F3N3O2S MolecularWeight: 429.41497

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O2S/c22-21(23,24)14-3-1-13(2-4-14)19(28)25-15-5-6-16-17(10-15)20(29)27-26-18(16)9-12-7-8-30-11-12/h1-8,10-11H,9H2,(H,25,28)(H,27,29)