1-(phthalazin-1-ylamino)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(phthalazin-1-ylamino)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(phthalazin-1-ylamino)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(1-phthalazinylamino)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(phthalazin-1-ylamino)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(phthalazin-1-ylamino)-3-[3-(trifluoromethyl)phenyl]urea Formula: C16H12F3N5O MolecularWeight: 347.29459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2NNC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2NNC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O/c17-16(18,19)11-5-3-6-12(8-11)21-15(25)24-23-14-13-7-2-1-4-10(13)9-20-22-14/h1-9H,(H,22,23)(H2,21,24,25)