N-[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-[[3,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-butyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[2-(3,4-difluoroanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H20F2N4O3/c1-2-3-10-27-21(30)15-7-5-4-6-14(15)19(26-27)20(29)24-12-18(28)25-13-8-9-16(22)17(23)11-13/h4-9,11H,2-3,10,12H2,1H3,(H,24,29)(H,25,28)