4-oxidanylidene-3-(phenylmethyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]phthalazine-1-carboxamide Formula: C26H18F3N3O2 MolecularWeight: 461.43523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC#CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC#CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C26H18F3N3O2/c27-26(28,29)20-12-6-10-18(16-20)11-7-15-30-24(33)23-21-13-4-5-14-22(21)25(34)32(31-23)17-19-8-2-1-3-9-19/h1-6,8-10,12-14,16H,15,17H2,(H,30,33)