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

Systemtic Name: 2-[1-[[4-(trifluoromethyl)phenyl]amino]phthalazin-6-yl]pyridine-3-carbonitrile Openeye Name: 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]pyridine-3-carbonitrile CAS Name: 2-[1-[4-(trifluoromethyl)anilino]-6-phthalazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]pyridine-3-carbonitrile Traditional Name: 2-[1-[4-(trifluoromethyl)anilino]phthalazin-6-yl]nicotinonitrile Formula: C21H12F3N5 MolecularWeight: 391.34869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12F3N5/c22-21(23,24)16-4-6-17(7-5-16)28-20-18-8-3-13(10-15(18)12-27-29-20)19-14(11-25)2-1-9-26-19/h1-10,12H,(H,28,29)