3-[(phenylmethyl)amino]-1-[3-(trifluoromethyl)phenyl]cinnolin-4-one

Systemtic Name: 3-[(phenylmethyl)amino]-1-[3-(trifluoromethyl)phenyl]cinnolin-4-one Openeye Name: 3-(benzylamino)-1-[3-(trifluoromethyl)phenyl]cinnolin-4-one CAS Name: 3-[(phenylmethyl)amino]-1-[3-(trifluoromethyl)phenyl]-4-cinnolinone IUPAC Name: 3-(benzylamino)-1-[3-(trifluoromethyl)phenyl]cinnolin-4-one Traditional Name: 3-(benzylamino)-1-[3-(trifluoromethyl)phenyl]cinnolin-4-one Formula: C22H16F3N3O MolecularWeight: 395.37715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN(C3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN(C3=CC=CC=C3C2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O/c23-22(24,25)16-9-6-10-17(13-16)28-19-12-5-4-11-18(19)20(29)21(27-28)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,26,27)