N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C23H15ClF3N3O2 MolecularWeight: 457.83231

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C23H15ClF3N3O2/c24-19-11-10-15(12-18(19)23(25,26)27)28-21(31)20-16-8-4-5-9-17(16)22(32)30(29-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,28,31)