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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C26H23FN4O5 MolecularWeight: 490.483023

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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)OC)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)OC)F

InChI

InChI=1S/C26H23FN4O5/c1-15-8-9-16(12-20(15)27)29-23(32)14-28-25(33)24-18-6-4-5-7-19(18)26(34)31(30-24)17-10-11-21(35-2)22(13-17)36-3/h4-13H,14H2,1-3H3,(H,28,33)(H,29,32)