N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Systemtic Name: N-[3-fluoranyl-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine Openeye Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(4-pyridylmethyl)phthalazin-1-amine CAS Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)-1-phthalazinamine IUPAC Name: N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine Traditional Name: [3-fluoro-5-(trifluoromethyl)phenyl]-[4-(4-pyridylmethyl)phthalazin-1-yl]amine Formula: C21H14F4N4 MolecularWeight: 398.356273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC(=CC(=C3)C(F)(F)F)F)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC(=CC(=C3)C(F)(F)F)F)CC4=CC=NC=C4

InChI

InChI=1S/C21H14F4N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)