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

Systemtic Name: 4-cyano-1-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Openeye Name: 1-(benzylamino)-4-cyano-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide CAS Name: 4-cyano-1-[(phenylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]-6-phthalazinecarboxamide IUPAC Name: 1-(benzylamino)-4-cyano-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Traditional Name: 1-(benzylamino)-4-cyano-N-[3-(trifluoromethyl)phenyl]phthalazine-6-carboxamide Formula: C24H16F3N5O MolecularWeight: 447.41195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C3C=CC(=CC3=C(N=N2)C#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C3C=CC(=CC3=C(N=N2)C#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H16F3N5O/c25-24(26,27)17-7-4-8-18(12-17)30-23(33)16-9-10-19-20(11-16)21(13-28)31-32-22(19)29-14-15-5-2-1-3-6-15/h1-12H,14H2,(H,29,32)(H,30,33)