4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione Openeye Name: 4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione CAS Name: 4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione IUPAC Name: 4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-dione Traditional Name: 4-(3-methoxypropyliminomethyl)-2-[3-(trifluoromethyl)phenyl]-4H-isoquinoline-1,3-quinone Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COCCCN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O3/c1-29-11-5-10-25-13-18-16-8-2-3-9-17(16)19(27)26(20(18)28)15-7-4-6-14(12-15)21(22,23)24/h2-4,6-9,12-13,18H,5,10-11H2,1H3