ethyl 2-[1-[[4-(trifluoromethyl)phenyl]amino]phthalazin-6-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[1-[[4-(trifluoromethyl)phenyl]amino]phthalazin-6-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]pyridine-3-carboxylate CAS Name: 2-[1-[4-(trifluoromethyl)anilino]-6-phthalazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]pyridine-3-carboxylate Traditional Name: 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]nicotinic acid ethyl ester Formula: C23H17F3N4O2 MolecularWeight: 438.40189

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)C2=CC3=CN=NC(=C3C=C2)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)C2=CC3=CN=NC(=C3C=C2)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N4O2/c1-2-32-22(31)19-4-3-11-27-20(19)14-5-10-18-15(12-14)13-28-30-21(18)29-17-8-6-16(7-9-17)23(24,25)26/h3-13H,2H2,1H3,(H,29,30)