N-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-(3,4-difluorophenyl)-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-(3,4-difluorophenyl)thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C21H16F2N4O2S MolecularWeight: 426.439146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H16F2N4O2S/c1-2-9-27-20(29)14-6-4-3-5-13(14)18(26-27)19(28)25-21-24-17(11-30-21)12-7-8-15(22)16(23)10-12/h3-8,10-11H,2,9H2,1H3,(H,24,25,28)