1-(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(3-keto-6,7-dimethoxy-1-methyl-2H-isoquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C20H18F3N3O4 MolecularWeight: 421.36983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=C(C(=O)N1)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)OC)OC

Isomeric SMILES

CC1=C2C=C(C(=CC2=C(C(=O)N1)NC(=O)NC3=CC=CC(=C3)C(F)(F)F)OC)OC

InChI

InChI=1S/C20H18F3N3O4/c1-10-13-8-15(29-2)16(30-3)9-14(13)17(18(27)24-10)26-19(28)25-12-6-4-5-11(7-12)20(21,22)23/h4-9H,1-3H3,(H,24,27)(H2,25,26,28)