4-[4-[[3-(trifluoromethyl)phenyl]amino]-2H-phthalazin-1-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-[[3-(trifluoromethyl)phenyl]amino]-2H-phthalazin-1-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-[3-(trifluoromethyl)anilino]-2H-phthalazin-1-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-[3-(trifluoromethyl)anilino]-2H-phthalazin-1-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-[3-(trifluoromethyl)anilino]-2H-phthalazin-1-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-[3-(trifluoromethyl)anilino]-2H-phthalazin-1-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H14F3N3O MolecularWeight: 381.35057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O/c22-21(23,24)14-4-3-5-15(12-14)25-20-18-7-2-1-6-17(18)19(26-27-20)13-8-10-16(28)11-9-13/h1-12,26H,(H,25,27)