N-[3,4-bis(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine

Systemtic Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine Openeye Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(4-pyridylmethyl)phthalazin-1-amine CAS Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)-1-phthalazinamine IUPAC Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(pyridin-4-ylmethyl)phthalazin-1-amine Traditional Name: [3,4-bis(trifluoromethyl)phenyl]-[4-(4-pyridylmethyl)phthalazin-1-yl]amine Formula: C22H14F6N4 MolecularWeight: 448.363779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14F6N4/c23-21(24,25)17-6-5-14(12-18(17)22(26,27)28)30-20-16-4-2-1-3-15(16)19(31-32-20)11-13-7-9-29-10-8-13/h1-10,12H,11H2,(H,30,32)