(4E)-4-[(pentylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(pentylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(pentylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione CAS Name: (4E)-4-[(pentylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(pentylamino)methylidene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Traditional Name: (4E)-4-[(amylamino)methylene]-2-[3-(trifluoromethyl)phenyl]isoquinoline-1,3-quinone Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC=C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCN/C=C/1\C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c1-2-3-6-12-26-14-19-17-10-4-5-11-18(17)20(28)27(21(19)29)16-9-7-8-15(13-16)22(23,24)25/h4-5,7-11,13-14,26H,2-3,6,12H2,1H3/b19-14+