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

Systemtic Name: N-[4-[bis(fluoranyl)methoxy]phenyl]-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(difluoromethoxy)phenyl]-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(difluoromethoxy)phenyl]-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(difluoromethoxy)phenyl]-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(difluoromethoxy)phenyl]-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H23F2N3O3 MolecularWeight: 415.433126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C22H23F2N3O3/c1-2-3-4-7-14-27-21(29)18-9-6-5-8-17(18)19(26-27)20(28)25-15-10-12-16(13-11-15)30-22(23)24/h5-6,8-13,22H,2-4,7,14H2,1H3,(H,25,28)