N-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[1-(3,4-difluorophenyl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[1-(3,4-difluorophenyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[1-(3,4-difluorophenyl)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[1-(3,4-difluorophenyl)ethyl]-4-keto-phthalazine-1-carboxamide Formula: C22H23F2N3O2 MolecularWeight: 399.433726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C22H23F2N3O2/c1-3-4-7-12-27-22(29)17-9-6-5-8-16(17)20(26-27)21(28)25-14(2)15-10-11-18(23)19(24)13-15/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,25,28)