1-[2,4-bis(fluoranyl)phenyl]-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]urea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]urea Openeye Name: 1-(2,4-difluorophenyl)-3-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]urea CAS Name: 1-(2,4-difluorophenyl)-3-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]urea IUPAC Name: 1-(2,4-difluorophenyl)-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea Traditional Name: 1-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2,4-difluorophenyl)urea Formula: C21H21F2N5O3 MolecularWeight: 429.419946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N5O3/c1-2-3-6-11-28-20(30)15-8-5-4-7-14(15)18(27-28)19(29)25-26-21(31)24-17-10-9-13(22)12-16(17)23/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,25,29)(H2,24,26,31)