3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-N-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-N-[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C25H20ClFN4O4 MolecularWeight: 494.902103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)OC)Cl)F

InChI

InChI=1S/C25H20ClFN4O4/c1-14-7-8-15(11-20(14)27)29-22(32)13-28-24(33)23-17-5-3-4-6-18(17)25(34)31(30-23)16-9-10-21(35-2)19(26)12-16/h3-12H,13H2,1-2H3,(H,28,33)(H,29,32)