1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C16H11F3N4O3 MolecularWeight: 364.27875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC3=C2C(=O)NNC3=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC3=C2C(=O)NNC3=O)C(F)(F)F

InChI

InChI=1S/C16H11F3N4O3/c17-16(18,19)8-3-1-4-9(7-8)20-15(26)21-11-6-2-5-10-12(11)14(25)23-22-13(10)24/h1-7H,(H,22,24)(H,23,25)(H2,20,21,26)