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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(3-pyridin-3-ylpropyl)phthalazin-1-amine Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[3-(3-pyridyl)propyl]phthalazin-1-amine CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[3-(3-pyridinyl)propyl]-1-phthalazinamine IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-pyridin-3-ylpropyl)phthalazin-1-amine Traditional Name: [4-chloro-3-(trifluoromethyl)phenyl]-[4-[3-(3-pyridyl)propyl]phthalazin-1-yl]amine Formula: C23H18ClF3N4 MolecularWeight: 442.86403

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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)CCCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC(=C(C=C3)Cl)C(F)(F)F)CCCC4=CN=CC=C4

InChI

InChI=1S/C23H18ClF3N4/c24-20-11-10-16(13-19(20)23(25,26)27)29-22-18-8-2-1-7-17(18)21(30-31-22)9-3-5-15-6-4-12-28-14-15/h1-2,4,6-8,10-14H,3,5,9H2,(H,29,31)