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

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-[4-(difluoromethoxy)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C21H21F2N3O3 MolecularWeight: 401.406546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H21F2N3O3/c1-2-3-6-13-26-20(28)17-8-5-4-7-16(17)18(25-26)19(27)24-14-9-11-15(12-10-14)29-21(22)23/h4-5,7-12,21H,2-3,6,13H2,1H3,(H,24,27)