[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)Cl

InChI

InChI=1S/C25H20ClN3O4/c1-15-12-13-17(14-20(15)26)27-23(30)22(16-8-4-3-5-9-16)33-25(32)21-18-10-6-7-11-19(18)24(31)29(2)28-21/h3-14,22H,1-2H3,(H,27,30)