1-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-4-oxidanylidene-3H-phthalazin-6-yl]-3-(4-methylphenyl)urea

Systemtic Name: 1-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-4-oxidanylidene-3H-phthalazin-6-yl]-3-(4-methylphenyl)urea Openeye Name: 1-[1-[(4-chloro-3-fluoro-phenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(p-tolyl)urea CAS Name: 1-[1-[(4-chloro-3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(4-methylphenyl)urea IUPAC Name: 1-[1-[(4-chloro-3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-(4-methylphenyl)urea Traditional Name: 1-[1-(4-chloro-3-fluoro-benzyl)-4-keto-3H-phthalazin-6-yl]-3-(p-tolyl)urea Formula: C23H18ClFN4O2 MolecularWeight: 436.866023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C23H18ClFN4O2/c1-13-2-5-15(6-3-13)26-23(31)27-16-7-8-17-18(12-16)22(30)29-28-21(17)11-14-4-9-19(24)20(25)10-14/h2-10,12H,11H2,1H3,(H,29,30)(H2,26,27,31)