N-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H21ClF3N3O2 MolecularWeight: 451.86925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C22H21ClF3N3O2/c1-2-3-4-7-12-29-21(31)16-9-6-5-8-15(16)19(28-29)20(30)27-18-13-14(22(24,25)26)10-11-17(18)23/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,27,30)