4-iodanyl-1-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide

Systemtic Name: 4-iodanyl-1-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Openeye Name: 1-(benzylamino)-4-iodo-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide CAS Name: 4-iodo-1-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]-6-phthalazinecarboxamide IUPAC Name: 1-(benzylamino)-4-iodo-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Traditional Name: 1-(benzylamino)-4-iodo-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Formula: C23H16F3IN4O MolecularWeight: 548.29902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)I

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(C3=C2C=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)I

InChI

InChI=1S/C23H16F3IN4O/c24-23(25,26)16-7-4-8-17(12-16)29-22(32)15-9-10-18-19(11-15)20(27)30-31-21(18)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,28,31)(H,29,32)