N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)phthalazin-1-amine

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)phthalazin-1-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(3-pyridyl)ethyl]phthalazin-1-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(3-pyridinyl)ethyl]-1-phthalazinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)phthalazin-1-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[4-[2-(3-pyridyl)ethyl]phthalazin-1-yl]amine Formula: C22H16ClF3N4 MolecularWeight: 428.83745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC(=C(C=C3)Cl)C(F)(F)F)CCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC(=C(C=C3)Cl)C(F)(F)F)CCC4=CN=CC=C4

InChI

InChI=1S/C22H16ClF3N4/c23-19-9-8-15(12-18(19)22(24,25)26)28-21-17-6-2-1-5-16(17)20(29-30-21)10-7-14-4-3-11-27-13-14/h1-6,8-9,11-13H,7,10H2,(H,28,30)